Basic information
- CAS
5410-92-4- Standard SMILES
Nc1ccc(C(=O)O)cc1[As](O)O- InChIKey
DKHAFXDOTUSZHQ-UHFFFAOYSA-N- Molecular formula
- C7H8AsNO4
- Average molar mass
- 245.06 g/mol
- Monoisotopic mass
- 244.966927
Names & identifiers
- Preferred name
- 4-Amino-3-(dihydroxyarsanyl)benzoic acid
- IUPAC
- 4-amino-3-dihydroxyarsanylbenzoic acid
Names & synonyms
5410-92-44-amino-3-(dihydroxyarsanyl)benzoic acidNSC12700ANTINEOPLASTIC-12700DTXSID90279445NSC-12700
Database identifiers
- CAS
5410-92-4- PubChem CID
- 224321
- DTXSID
DTXSID90279445
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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