Basic information
- CAS
6346-04-9- Standard SMILES
O=C(O)CCC(=O)Nc1ccc([As](=O)(O)O)cc1[N+](=O)[O-]- InChIKey
SHSMYOSFMXCQHY-UHFFFAOYSA-N- Molecular formula
- C10H11AsN2O8
- Average molar mass
- 362.12 g/mol
- Monoisotopic mass
- 361.973135
Names & identifiers
- Preferred name
- Antineoplastic-43746
- IUPAC
- 4-(4-arsono-2-nitroanilino)-4-oxobutanoic acid
Names & synonyms
6346-04-9ANTINEOPLASTIC-43746NSC43746DTXSID10979692NSC-437464-[(4-Arsono-2-nitrophenyl)imino]-4-hydroxybutanoic acid
Database identifiers
- CAS
6346-04-9- PubChem CID
- 239028
- DTXSID
DTXSID10979692
Properties
Computed structural properties
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…