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Arsenic acid (H3AsO4), monomethyl ester
70786-76-4 | DTXSID40221050

Searched by CAS-RN: Found 1 result for '70786-76-4'.

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Intrinsic Properties

Molecular Formula: CH5AsO4

Average Mass: 155.969 g/mol

Monoisotopic Mass: 155.940379 g/mol

Structural Identifiers

IUPAC Name: Methyl dihydrogen arsorate

SMILES: CO[As](O)(O)=O

InChI String: InChI=1S/CH5AsO4/c1-6-2(3,4)5/h1H3,(H2,3,4,5)

InChIKey: FRLCRPUWDUKNGO-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/DTXSID40221050 (accessed May 21, 2018), Arsenic acid (H3AsO4), monomethyl ester

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

Loaded based on no conflicts with this data in chemid and pubchem

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

-2.44 (1)

- - - - -

Melting Point

-

68.0 (1)

- - - -

°C

Boiling Point

-

261 (1)

- - - -

°C

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

-2.44 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-2.44

Not Available

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

68.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

68.0 °C

Not Available

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

261 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

261 °C

Not Available

Not Available

No Environmental Fate/Transport Properties Found.

Found 4 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Arsenic acid (H3AsO4), monomethyl ester
Methyl dihydrogen arsorate
Arsenic acid (H3AsO4), monomethyl ester
70786-76-4 Active CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

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PubChem Articles

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PubChem Patents

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Searched with a similarity threshold of 0.8

Executive Summary

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