Chem
J-GLOBAL ID：200907005826095352
Nikkaji number：J239.335B
Nicotinate
ニコチナート
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C6H4NO[O-]
Molecular formula furigana： C6-H4-N-O2
Molecular weight： 122.104
InChI：
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1
InChI key：
PVNIIMVLHYAWGP-UHFFFAOYSA-M
SMILES：
[O-]C(=O)c1cccnc1
Systematic name (4)：
- ピリジン-3-カルボキシラート
- ニコチナート
- ニコチン酸アニオン
- pyridine-3-carboxylate
- Nicotinate
- Nicotinic acid anion
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