N-(2-Carboxyphenyl)nicotinamide 1-oxide
Basic information
- CAS
62833-93-6- Standard SMILES
O=C(Nc1ccccc1C(=O)O)c1ccc[n+]([O-])c1- InChIKey
AXMDWPFNDHYNJE-UHFFFAOYSA-N- Molecular formula
- C13H10N2O4
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.0640568
Names & identifiers
- Preferred name
- N-(2-Carboxyphenyl)nicotinamide 1-oxide
- IUPAC
- 2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid
Names & synonyms
N-(2-Carboxyphenyl)nicotinamide 1-oxideSR-01000029879SR-01000029879-1Z56797333
Database identifiers
- CAS
62833-93-6- PubChem CID
- 2302793
- DTXSID
DTXSID201219416
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
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Compound notes
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