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Basic information
- Standard SMILES
CC(O)COc1ccc([As](=O)(O)O)cc1[N+](=O)[O-]- InChIKey
HTKUZKTWMNDFHB-UHFFFAOYSA-N- Molecular formula
- C9H12AsNO7
- Average molar mass
- 321.12 g/mol
- Monoisotopic mass
- 320.982971
Names & identifiers
- Preferred name
- Antineoplastic-525323
- IUPAC
- [4-(2-hydroxypropoxy)-3-nitrophenyl]arsonic acid
Names & synonyms
NSC525323ANTINEOPLASTIC-525323NSC-525323
Database identifiers
- PubChem CID
- 352197
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
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Compound notes
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