Chem
J-GLOBAL ID：200907099414662273
Nikkaji number：J514.157E
4-Ethynylbenzoic acid
4-エチニル安息香酸
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： C9H6O2
Molecular formula furigana： C9-H6-O2
Molecular weight： 146.145
InChI：
InChI=1S/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11)
InChI key：
SJXHLZCPDZPBPW-UHFFFAOYSA-N
SMILES：
OC(=O)c1ccc(cc1)C#C
Systematic name (3)：
- 4-エチニル安息香酸
- 4-カルボキシフェニルアセチレン
- 4-ethynylbenzoic acid
- 4-Ethynylbenzoic acid
- 4-Carboxyphenylacetylene
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