Chem
J-GLOBAL ID：200907006324665909
Nikkaji number：J80.335I
3-Cyanobenzoic acid
3-シアノ安息香酸
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： C8H5NO2
Molecular formula furigana： C8-H5-N-O2
Molecular weight： 147.133
InChI：
InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)
InChI key：
GYLKKXHEIIFTJH-UHFFFAOYSA-N
SMILES：
OC(=O)c1cccc(c1)C#N
Systematic name (3)：
- m-シアノ安息香酸
- 3-シアノ安息香酸
- 3-cyanobenzoic acid
- m-Cyanobenzoic acid
- 3-Cyanobenzoic acid
Regulation number (3)：
- EINECS2175111
- 4-(4)-1246
- UN-3439
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