Chem
J-GLOBAL ID：200907029462094378
Nikkaji number：J1.139.251B
(4-2H)Nicotinic acid
(4-2H)ニコチン酸
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： C6H4[2H]NO2
Molecular formula furigana： C6-H5-N-O2
Molecular weight： 124.117
InChI：
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i2D
InChI key：
PVNIIMVLHYAWGP-VMNATFBRSA-N
SMILES：
c1([2H])ccncc1C(=O)O
Systematic name (3)：
- (4-2H)ニコチン酸
- (4-2H)ピリジン-3-カルボン酸
- (4-2H)pyridine-3-carboxylic acid
- (4-2H)Nicotinic acid
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