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Acetaminophen
103-90-2 | DTXSID2020006

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID2020006'.

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Intrinsic Properties

Molecular Formula: C8H9NO2

Average Mass: 151.165 g/mol

Monoisotopic Mass: 151.063329 g/mol

Structural Identifiers

IUPAC Name: N-(4-Hydroxyphenyl)acetamide

SMILES: CC(=O)NC1=CC=C(O)C=C1

InChI String: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)

InChIKey: RZVAJINKPMORJF-UHFFFAOYSA-N

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Structural Skeleton Full Structure

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Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID2020006 (accessed July 21, 2018), Acetaminophen

Data Quality

Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers

Level 2:Expert curated, unique chemical identifiers using multiple sources

Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem

Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem

Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

0.46 (1)

3.30e-01 (5)

-

3.39e-01

0.46

8.03e-02 to 5.58e-01

-

Water Solubility

9.26e-02 (1)

1.12e-01 (4)

-

1.06e-01

9.26e-02

3.63e-02 to 2.01e-01

mol/L

Density

-

1.22 (2)

-

1.22

-

1.20 to 1.25

g/cm^3

Flash Point

-

176 (2)

-

176

-

163 to 188

°C

Melting Point

169 (14)

153 (4)

170

153

163 to 171

120 to 188

°C

Boiling Point

-

331 (5)

-

329

-

288 to 388

°C

Surface Tension

-

52.8 (1)

- - - -

dyn/cm

Thermal Conductivity

-

172 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

5.65e-06 (4)

-

4.14e-06

-

1.92e-07 to 1.41e-05

mmHg

Viscosity

-

23.0 (1)

- - - -

cP

LogKoa: Octanol-Air

-

7.96 (1)

- - - - -

Henry's Law

-

5.59e-09 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.62 (1)

- - - - -

Molar Refractivity

-

42.4 (1)

- - - -

cm^3

Molar Volume

-

121 (1)

- - - -

cm^3

Polarizability

-

16.8 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

0.46 (1)

-

0.46

Predicted

3.30e-01 (5)

3.39e-01

8.03e-02 to 5.58e-01

Experimental

Source

Result

PhysPropNCCT

0.46

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

0.27

Not Available

Not Available

NICEATM

8.03e-02

Not Available

Available

ACD/Labs Consensus

4.03e-01

Not Available

Not Available

ACD/Labs

3.39e-01

Not Available

Not Available

OPERA

5.58e-01

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

9.26e-02 (1)

-

9.26e-02

Predicted

1.12e-01 (4)

1.06e-01

3.63e-02 to 2.01e-01

Experimental

Source

Result

PhysPropNCCT

9.26e-02 mol/L

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.01e-01 mol/L

Not Available

Not Available

NICEATM

1.72e-01 mol/L

Not Available

Available

TEST

3.95e-02 mol/L

TEST Report

Not Available

OPERA

3.63e-02 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.22 (2)

1.22

1.20 to 1.25

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.25 g/cm^3

Not Available

Not Available

TEST

1.20 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

176 (2)

176

163 to 188

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

188 °C

Not Available

Not Available

TEST

163 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

331 (5)

329

288 to 388

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

341 °C

Not Available

Not Available

NICEATM

329 °C

Not Available

Available

ACD/Labs

388 °C

Not Available

Not Available

TEST

288 °C

TEST Report

Not Available

OPERA

310 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

52.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

52.8 dyn/cm

Not Available

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

172 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

172 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

5.65e-06 (4)

4.14e-06

1.92e-07 to 1.41e-05

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.92e-07 mmHg

Not Available

Available

ACD/Labs

1.43e-06 mmHg

Not Available

Not Available

TEST

1.41e-05 mmHg

TEST Report

Not Available

OPERA

6.85e-06 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

23.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

23.0 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

7.96 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.96

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

5.59e-09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.59e-09 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.62 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.62

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

42.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

42.4 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

121 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

121 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

16.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

16.8 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

47.6 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.30e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.55 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

2.62e-01 (1)

- - - -

days

Bioconcentration Factor

-

10.6 (3)

-

10.7

-

1.73 to 19.3

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

47.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

47.6 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.30e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.30e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.55 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.55 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

2.62e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.62e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

10.6 (3)

10.7

1.73 to 19.3

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

19.3

Not Available

Available

TEST

1.73

TEST Report

Not Available

OPERA

10.7

OPERA Model Report

Available

Found 695 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Acetaminophen
N-(4-Hydroxyphenyl)acetamide
Acetamide, N-(4-hydroxyphenyl)-
103-90-2 Active CAS-RN
4-Acetamidophenol
APAP
Paracetamol
4-hydroxyacetanilide
4-13-00-01091 Beilstein Registry Number
Acetamide, N-(4-hydroxyphenyl)-
4-(Acetylamino)phenol
4-(N-Acetylamino)phenol
4-Acetaminophenol
4'-Hydroxyacetanilide
Abensanil
Acetagesic
Acetalgin
ACETAMIDE, N-(4-HYDROXYPHENYL)
Acetaminofen
Acetanilide, 4'-hydroxy-
ACETANILIDE, 4-HYDROXY-
Algotropyl
Alvedon
Anaflon
Apamide
Banesin
Ben-u-ron
Bickie-mol
Biocetamol
Cetadol
Citramon P
Claratal
Clixodyne
Dafalgan
Daphalgan
Dial-a-gesic
Disprol
Doliprane
Dolprone
Dymadon
Efferalgan
Endophy
Febrilex
Febrilix
Febro-Gesic
Febrolin
Fepanil
Finimal
Gattaphen T
Gelocatil
Gutte Enteric
Homoolan
Jin Gang
Lestemp
Liquagesic
Lonarid
Lyteca Syrup
Minoset
Momentum
N-(4-Hydroxyphenyl)acetamide
N-Acetyl-4-aminophenol
N-Acetyl-4-hydroxyaniline
N-Acetyl-p-aminophenol
Napafen
Naprinol
Nobedon
NSC 109028
NSC 3991
Ortensan
p-(Acetylamino)phenol
p-Aceaminophenol
Pacemol
p-Acetamidophenol
p-Acetoaminophen
P-ACETYLAMINOPHENOL
Paldesic
panadeine
Panadol
Panadol Actifast
Panadol Extend
Panaleve
Panasorb
Panodil
Paracetamol DC
Paracetamole
Parageniol
Paramol
Paraspen
Parelan
Pasolind N
Perfalgan
Phenaphen
Phendon
p-Hydroxyacetanilide
Prodafalgan
Puerxitong
Pyrinazine
Resfenol
Resprin
Rhodapop NCR
Salzone
Tabalgin
Tachipirina
Tempanal
Tralgon
Tylenol
TylolHot
Valadol
Valgesic
Vermidon
Vick Pyrena
Acetamide, N-(p-hydroxyphenyl)-
p-Acetaminophenol
EINECS 203-157-5
NCI-C55801
Pyregesic-C
Apitrelal
Children's Acetaminophen Elixir Solution
Codicet
Croix Blanche
Dafalgan Codeine
Dolotec
Febridol
Fluparmol
Malex N
Paracetamol Harkley
Paradrops
Phogoglandin
Setamol
Titralgan
Fever All
Tylenol 8-Hour
UNII-362O9ITL9D FDA Registry Number
Ofirmev
N-(4-Hydroxyphenyl)acetanilide
Acetaco
4-Hydroxyanilid kyseliny octove
A-Per
A.F. Anacin
Abenol
Abrol
Abrolet
Acamol
Accu-Tap
Acenol
Acephen
Acertol
Aceta Elixir
Aceta Tablets
Acetaminophen Uniserts
Acetamol
Acetofen
Actamin
Actamin Extra
Actamin Super
Actifed Plus
Actimol Chewable Tablets
Actimol Children'S Suspension
Actimol Infants' Suspension
Actimol Junior Strength Caplets
Actron
Afebrin
Afebryl
Aferadol
Algesidal
Algina
Algomol
Allay
Alpiny
Alpinyl
Amadil
Aminofen
Aminofen Max
Anacin-3
Anacin-3 Extra Strength
Anadin dla dzieci
Analter
Anapap
Andox
Anelix
Anexsia
Anexsia 10/660
Anexsia 5/325
Anexsia 7.5/325
Anexsia 7.5/650
Anhiba
Anoquan
Anti-Algos
Antidol
Apacet
Apacet Capsules
Apacet Elixir
Apacet Extra Strength Caplets
Apacet Extra Strength Tablets
Apacet Regular Strength Tablets
Apadon
Apamid
Apitrelal
Apo-Acetaminophen
Arfen
Asetam
Asomal
Aspac
Aspirin Free Anacin Maximum Strength Caplets
Aspirin Free Anacin Maximum Strength Gel Caplets
Aspirin Free Anacin Maximum Strength Tablets
Aspirin-Free Anacin
Aspirin-Free Excedrin Caplets
Asplin
Atasol Caplets
Atasol Drops
Atasol Forte Caplets
Atasol Forte Tablets
Atasol Oral Solution
Atasol Tablets
Atralidon
Babikan
Bacetamol
Bancap
Bancap Hc
Bayer Select Allergy-Sinus
Bayer Select Head Cold
Bayer Select Headache Pain
Bayer Select Maximum Strength Headache Pain Relief Formula
Bayer Select Menstrual Multi-Symptom
Bayer Select Sinus Pain Relief
Benmyo
Bucet
Butalbital
Butapap
Cadafen
Calapol
Calmanticold
Calpol
Capital with Codeine
Captin
Causalon
Cefalex
Cetadol
Children'S Acetaminophen Elixir Drops
Children'S Acetaminophen Oral Solution
Children'S Tylenol Chewable
Claradol Codeine
Co-Gesic
Cod-Acamol Forte
Codabrol
Codalgin
Codapane
Codicet
Codisal
Codisal Forte
Codoliprane
Codral Pain Relief
Cofamol
Conacetol
Contac Cough & Sore Throat Formula
Contra-Schmerz P
Coricidin
Coricidin D
Coricidin Sinus
Cosutone
Croix Blanche
Cuponol
Curadon
Curpol
Custodial
Dapa X-S
Darocet
Darvocet
Darvocet-N 50
Datril
Datril Extra-Strength
Daygrip
Demilets
Deminofen
Democyl
Demogripal
Desfebre
Dhamol
Dhc Plus
Dial-a-gesic
Dial-alpha-gesic
Dimindol
Dirox
Dol-Stop
Dolcor
Dolefin
Dolegrippin
Dolene Ap-65
Dolgesic
Dolko
Dolofugin
Doloreduct
Dolorfug
Dolorol Forte
Dolorstop
Dolotec
Dorocoff
Dresan
Dristan Cold No Drowsiness
Dristancito
Duracetamol
Duradyne Dhc
Durapan
Dymadon Co
Dymadon Forte
Dypap
Ecosetol
Elixodyne
Empracet
Endecon
Enelfa
Eneril
Esgic
Esgic-Plus
Eu-Med
Excedrin
Excedrin Caplets
Excedrin Extra Strength Caplets
Excipain
Exdol
Exdol Strong
Fanalgic
Farmadol
Febranine
Febrectal
Febrectol
Febrex
Febricet
Febridol
Febrin
Febrinol
Femcet
Fendon
Fensum
Feverall Junior Strength
Feverall Sprinkle Caps Junior Strength
Fevor
Finiweh
Fioricet
Fluparmol
Fortalidon P
Freka-cetamol
Geluprane
Genapap Children'S Elixir
Genapap Children'S Tablets
Genapap Extra Strength Caplets
Genapap Extra Strength Tablets
Genapap Regular Strength Tablets
Genebs Extra Strength Caplets
Genebs Regular Strength Tablets
Genebs X-Tra
Geralgine-P
Gripin Bebe
Grippostad
Gynospasmine
Hedex
Helon N
Hy-Phen
Hycomine Compound
Hydrocet
Ildamol
Inalgex
Infadrops
Infants' Feverall
Influbene N
Injectapap
Intensin
Janupap
Junior Disprol
Kataprin
Kinder Finimal
Korum
Kratofin simplex
Labamol
Lekadol
Lemgrip
Lemsip
Liquigesic Co
Liquiprin
Liquiprin Children'S Elixir
Liquiprin Infants" Drops
Lonarid Mono
Lorcet-Hd
Lortab
Lupocet
Lyteca
Magnidol
Malex N
Malgis
Malidens
Maxadol
Medigesic Plus
Medinol Paediatric
Medocodene
Melabon Infantil
Mexalen
Midol Maximum Strength
Midol PM Night Time Formula
Midol Regular Strength
Midol Teen Formula
Migraleve Yellow
Minafen
Miralgin
Mono Praecimed
Multin
NAPA
Naldegesic
Napap
Naprinol
Nealgyl
Nebs
Neo-Fepramol
NeoCitran
Neodol
Neodolito
Neopap
Neotrend
Neuridon
New Cortal for Children
NilnOcen
Nina
No-Febril
Nodolex
Noral
Norcet
Norco
O-Acetaminophenol
Oltyl
Oralgan
Oraphen-PD
Oxycet
Oxycocet
Oxycodone 2.5/Apap 500
Oxycodone 5/Apap 500
PCM Paracetamol Lichtenstein
Paceco
Pacemo
Pacet
Pacimol
Paedialgon
Paedol
Painex
Pamol
Panacete
Panadeine Co
Panadiene
Panado-Co
Panado-Co Caplets
Panadol Extra Strength
Panadol Junior Strength Caplets
Panadol Maximum Strength Caplets
Panadol Maximum Strength Tablets
Panamax
Panasorbe
Panets
Panex
Panofen
Pantalgin
Papa-Deine #3
Papa-Deine #4
Para-Suppo
Para-Tabs
Paracemol
Paracenol
Paracet
Paracetamol
Paracetamol AL
Paracetamol Antipanin P
Paracetamol BC
Paracetamol Basics
Paracetamol Dr. Schmidgall
Paracetamol Fecofar
Paracetamol Genericon
Paracetamol Hanseler
Paracetamol Harkley
Paracetamol Heumann
Paracetamol Hexal
Paracetamol Italfarmaco
Paracetamol Nycomed
Paracetamol PB
Paracetamol Raffo
Paracetamol Ratiopharm
Paracetamol Rosch
Paracetamol Saar
Paracetamol SmithKline Beecham
Paracetamol Stada
Paracetamol Winthrop
Paracetamol von ct
Paracetamolo
Paracetamolum
Paracetanol
Paracetol
Paracin
Paracod
Paracodol
Parador
Paradrops
Parakapton
Parake
Paralen
Paralief
Paralink
Paralyoc
Paramolan
Paranox
Parapan
Parasedol
Parasin
Parcetol
Parmol
Parogal
Paroma
Pasolind
Pasolind N
Pe-Tam
Pediapirin
Pediatrix
Pedric
Percocet
Percocet-5
Percocet-Demi
Percogesic with Codeine
Perdolan Mono
Phenaphen Caplets
Phenaphen W/Codeine
Phenipirin
Phogoglandin
Phrenilin
Phrenilin Forte
Pinex
Piramin
Pirinasol
Plicet
Polmofen
Predimol
Predualito
Prestwick_13
Prodol
Prompt
Prontina
Propacet
Propacet 100
Proval #3
Puernol
Pulmofen
Pyregesic-C
Pyrigesic
Pyromed
Quiet World
Redutemp
Reliv
Remedol
Rhinex D-Lay Tablets
Rivalgyl
Robigesic
Robitussin Night Relief
Rockamol Plus
Rounox
Roxicet
Roxicet 5/500
Roxilox
RubieMol
Rubophen
Rupemol
SK-Apap
Sanicet
Sanicopyrine
Scanol
Scentalgyl
Scherzatabletten Rezeptur 534
Schmerzex
Sedalito
Sedapap
Semolacin
Servigesic
Seskamol
Setakop
Setamol
Setol
Sifenol
Sinaspril
Sine-Off Sinus Medicine Caplets
Sinedol
Sinmol
Sinubid
Snaplets-FR
Spalt N
Spalt fur die nacht
St Joseph Aspirin-Free
St Joseph Aspirin-Free for Children
St. Joseph Cold Tablets for Children
St. Joseph Fever Reducer
Stanback
Stopain
Sudafed Severe Cold Formula
Sudafed Sinus
Sunetheton
Supac
Supadol mono
Supofen
Suppap
Suppap-120
Suppap-325
Suppap-650
Supramol-M
Synalgos-Dc-A
TYL
Tachiprina
Talacen
Tapanol Extra Strength Caplets
Tapanol Extra Strength Tablets
Tapar
Tavist Allergy/Sinus/Headache
Tazamol
Temlo
Tempra
Tempra Caplets
Tempra Chewable Tablets
Tempra D.S
Tempra Drops
Tempra Syrup
Tencon
Termacet
Termalgin
Termalgine
Termofren
TheraFlu
Tibinide
Tibizide
Tiffy
Tisin
Tisiodrazida
Titralgan
Tizide
Tocris-1706
Toximer P
Treupel N
Treupel mon
Treuphadol
Triad
Triaminic Sore Throat Formula
Triaprin
Tricoton
Tussapap
Tycolet
Tylenol Allergy Sinus
Tylenol Arthritis Extended Relief
Tylenol Caplets
Tylenol Children'S Chewable Tablets
Tylenol Children'S Elixir
Tylenol Children'S Suspension Liquid
Tylenol Drops
Tylenol Elixir
Tylenol Extra Strength Adult Liquid Pain Reliever
Tylenol Extra Strength Caplets
Tylenol Extra Strength Gelcaps
Tylenol Extra Strength Tablets
Tylenol Gelcaps
Tylenol Infants Drops
Tylenol Infants" Suspension Drops
Tylenol Junior Strength Caplets
Tylenol Junior Strength Chewable Tablets
Tylenol Regular Strength Caplets
Tylenol Regular Strength Tablets
Tylenol Tablets
Tylex
Tylex CD
Tylol
Tylox
Tylox-325
Tymol
Ultracet
Upsanol
Utragin
Valorin
Valorin Extra
Vanquish
Veralgina
Verpol
Viclor Richet
Vicodin
Vicodin Es
Vicodin Hp
Vips
Viruflu
Vivimed
Volpan
Wygesic
Zatinol
Zolben
acetaminophene
alpha-Per
719293-04-6 Deleted CAS-RN
8055-08-1 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

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7732nd highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

1.11e-08

1.07e-06

Ages 12-19

1.67e-08

1.26e-06

Ages 20-65

1.01e-08

1.55e-06

Ages 65+

1.07e-08

1.12e-06

BMI > 30

1.12e-08

1.28e-06

BMI < 30

1.40e-08

1.19e-06

Repro. Age Females

1.21e-08

1.70e-06

Females

1.16e-08

1.33e-06

Males

8.45e-09

7.09e-07

Total

1.05e-08

1.30e-06

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