Chem
J-GLOBAL ID：200907070456556378
Nikkaji number：J609.491K
4-(Cyanomethyl)benzoic acid
4-(シアノメチル)安息香酸
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： C9H7NO2
Molecular formula furigana： C9-H7-N-O2
Molecular weight： 161.160
InChI：
InChI=1S/C9H7NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5H2,(H,11,12)
InChI key：
RSGBXCFAYHOKQZ-UHFFFAOYSA-N
SMILES：
OC(=O)c1ccc(CC#N)cc1
Systematic name (2)：
- 4-(シアノメチル)安息香酸
- 4-(cyanomethyl)benzoic acid
- 4-(Cyanomethyl)benzoic acid
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