Sodium oxiniacate
Basic information
- CAS
40950-89-8- Standard SMILES
O=C([O-])c1ccc[n+]([O-])c1.[Na+]- InChIKey
LXFVSEQNECEJQB-UHFFFAOYSA-M- Molecular formula
- C6H4NNaO3
- Average molar mass
- 161.09 g/mol
- Monoisotopic mass
- 161.00888727
Names & identifiers
- Preferred name
- Sodium oxiniacate
- IUPAC
- sodium 1-oxidopyridin-1-ium-3-carboxylate
Names & synonyms
Sodium oxiniacateNicotinic acid oxide sodium saltOxiniacic acid sodium saltNicotinic acid N-oxide sodium saltN-Hydroxynicotinic acid sodium saltSodium 3-pyridinecarboxylate 1-oxide40950-89-83-Pyridinecarboxylic acid oxide sodium salt3-Pyridinecarboxylic acid, 1-oxide, sodium saltNICOTINIC ACID, 1-OXIDE, SODIUM SALTDTXSID10193952RefChem:380753
Show more names
DTXCID501164433-Pyridinecarboxylic acid, 1-oxide, sodium salt (9CI)Sodium 1-oxo-1lambda~5~-pyridine-3-carboxylate
Database identifiers
- CAS
40950-89-8- PubChem CID
- 38717
- DTXSID
DTXSID10193952
Properties
Computed structural properties
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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