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Arsenoacetic acid

HCID 68341
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Basic information

CAS
544-27-4
Standard SMILES
O=C(O)C[As]=[As]CC(=O)O
InChIKey
VYEDANBZSYIKMV-UHFFFAOYSA-N
Molecular formula
C4H6As2O4
Average molar mass
267.93 g/mol
Monoisotopic mass
267.8698

Overview

Arsenoacetic acid is an organoarsenic compound. It has a role as a xenobiotic. It is functionally related to an acetic acid.

Names & identifiers

Preferred name
Arsenoacetic acid
IUPAC
2-(carboxymethylarsanylidenearsanyl)acetic acid
English name
arsenoacetic acid
Molecular formula
C4H6As2O4
Molecular weight
267.93

Names & synonyms

Arsenoacetic acid544-27-42-(carboxymethylarsanylidenearsanyl)acetic acid3LG8O48HMFUNII-3LG8O48HMFSCHEMBL668364SCHEMBL668365ARSENOACETIC ACID [MI]CHEBI:22634DTXSID408717512,2'-(1,2-diarsenediyl)bisacetic acid2,2'-(Diarsene-1,2-diyl)diacetic acid
Show more names
Arsenodiacetic acidArsenobisacetic acid
2,2'-(E)-diarsene-1,2-diyldiacetic acidAcetic acid, 2,2'-(1,2-diarsenediyl)bis-Q27109460

Database identifiers

CAS
544-27-4
PubChem CID
68341
DTXSID
DTXSID40871751
ChEBI
CHEBI:22634
UNII
3LG8O48HMF
Nikkaji
J81.949B

Properties

Computed structural properties

Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
10
Formal charge
0
Complexity
147

Physicochemical properties

pka
2 · pK2: 4.67;pK3: 7.68 (25°C)
FDA UNII
3 LG8O48HMF · 3LG8O48HMF

Chemistry & industry

Additional notes

DefinitionChEBI: Arsenoacetic acid is an organoarsenic compound. It has a role as a xenobiotic. It is functionally related to an acetic acid.

Related reactions

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Compound notes

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