3-[Hydroxy(methyl)arsoryl]benzoic acid
Basic information
- CAS
7477-96-5- Standard SMILES
C[As](=O)(O)c1cccc(C(=O)O)c1- InChIKey
CQHPAIDGKCHAGX-UHFFFAOYSA-N- Molecular formula
- C8H9AsO4
- Average molar mass
- 244.08 g/mol
- Monoisotopic mass
- 243.971678
Names & identifiers
- Preferred name
- 3-[Hydroxy(methyl)arsoryl]benzoic acid
- IUPAC
- 3-[hydroxy(methyl)arsoryl]benzoic acid
Names & synonyms
MLS0007571777477-96-53-[hydroxy(methyl)arsoryl]benzoic acidANTINEOPLASTIC-402843NSC402843CHEMBL1876784DTXSID70323031HMS2886A09NSC-402843SMR000529031
Database identifiers
- CAS
7477-96-5- PubChem CID
- 345306
- DTXSID
DTXSID70323031- ChEMBL
CHEMBL1876784
Properties
Computed structural properties
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 251
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Compound notes
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