Phenoxarsinic acid
Basic information
- CAS
4846-20-2- Standard SMILES
O=[As]1(O)c2ccccc2Oc2ccccc21- InChIKey
UWYZTJXNVOTEQO-UHFFFAOYSA-N- Molecular formula
- C12H9AsO3
- Average molar mass
- 276.12 g/mol
- Monoisotopic mass
- 275.976764
Names & identifiers
- Preferred name
- Phenoxarsinic acid
- IUPAC
- 10-hydroxyphenoxarsinine 10-oxide
- English name
- 10-Hydroxy-10H-phenoxarsine 10-oxide
- Molecular formula
- C12H9AsO3
- Molecular weight
- 276.12
Names & synonyms
Phenoxarsinic acidPhenoxarsine, 10-hydroxy-, 10-oxide4846-20-210H-Phenoxarsine, 10-hydroxy-, 10-oxideUNII-155T27V8T9155T27V8T9DTXSID80895835RefChem:172897DTXCID901325339UWYZTJXNVOTEQO-UHFFFAOYSA-N10H-Phenoxarsin-10-ol 10-oxide #10-Hydroxy-10H-10lambda~5~-phenoxarsinin-10-one
Show more names
10-Hydroxy-10H-phenoxarsine 10-oxide
Q27251693
Database identifiers
- CAS
4846-20-2- PubChem CID
- 618262
- DTXSID
DTXSID80895835- UNII
- 155T27V8T9
- Nikkaji
- J109.689C
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Melting point
- 221 · 221-222 °C
- Boiling point
- 476.2 · 476.2±38.0 °C(Predicted)
- pka
- 4.4 · 4.40±0.20(Predicted)
- FDA UNII
- 155 T27V8T9 · 155T27V8T9
- EPA Substance Registry System
- 10 H-Phenoxarsine, · 10H-Phenoxarsine, 10-hydroxy-, 10-oxide (4846-20-2)
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Compound notes
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