Chem
J-GLOBAL ID：201207026744814825
Nikkaji number：J3.062.596J
4-(4-Formylphenyl)-3-butyne-2-one
4-(4-ホルミルフェニル)-3-ブチン-2-オン
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： C11H8O2
Molecular formula furigana： C11-H8-O2
Molecular weight： 172.183
InChI：
InChI=1S/C11H8O2/c1-9(13)2-3-10-4-6-11(8-12)7-5-10/h4-8H,1H3
InChI key：
IAOUKRJUWYKLTE-UHFFFAOYSA-N
SMILES：
CC(=O)C#Cc1ccc(C=O)cc1
Systematic name (3)：
- 4-(4-ホルミルフェニル)-3-ブチン-2-オン
- 4-(3-オキソブタ-1-イン-1-イル)ベンズアルデヒド
- 4-(3-oxobut-1-yn-1-yl)benzaldehyde
- 4-(4-Formylphenyl)-3-butyne-2-one
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