Basic information
- CAS
3969-57-1- Standard SMILES
Cc1ccccc1[As](=O)(O)O- InChIKey
DPJPCCXYYXKLSV-UHFFFAOYSA-N- Molecular formula
- C7H9AsO3
- Average molar mass
- 216.07 g/mol
- Monoisotopic mass
- 215.976764
Names & identifiers
- Preferred name
- As-(2-Methylphenyl)arsonic acid
- IUPAC
- (2-methylphenyl)arsonic acid
- English name
- 2-Methylphenylarsonic acid
- Molecular weight
- 0
Names & synonyms
2-Methylbenzenearsonic acid3969-57-1o-Methylbenzenearsonic acidArsonic acid, (2-methylphenyl)-P0YR87EQEBNSC-12620DTXSID20192779RefChem:1077254As-(2-Methylphenyl)arsonic acidDTXCID10115270o-Toluenearsonic acid(2-METHYLPHENYL)ARSONIC ACID
Show more names
UNII-P0YR87EQEBNSC 126202-Methylphenylarsonic acidBRN 2830770WLN: Q-AS-QO&R B1SCHEMBL3080334NSC12620DS-012109
Database identifiers
- CAS
3969-57-1- PubChem CID
- 77589
- DTXSID
DTXSID20192779- UNII
- P0YR87EQEB
- Nikkaji
- J59.686H
Properties
Computed structural properties
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- FDA UNII
- 0 YR87EQEB · P0YR87EQEB
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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