Chem
J-GLOBAL ID：200907099130766699
Nikkaji number：J1.656.146K
4-Ethynylbenzoic acid ethyl ester
4-エチニル安息香酸エチル
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： C11H10O2
Molecular formula furigana： C11-H10-O2
Molecular weight： 174.199
InChI：
InChI=1S/C11H10O2/c1-3-9-5-7-10(8-6-9)11(12)13-4-2/h1,5-8H,4H2,2H3
InChI key：
CKAGLAFXBLZHAS-UHFFFAOYSA-N
SMILES：
CCOC(=O)c1ccc(cc1)C#C
Systematic name (3)：
- 4-エチニル安息香酸エチル
- エチル 4-エチニルベンゾアート
- ethyl 4-ethynylbenzoate
- 4-Ethynylbenzoic acid ethyl ester
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