Chem
J-GLOBAL ID：201507000069481254
Nikkaji number：J3.459.087G
2-[3-(4-Methylphenyl)-2-propynyl]-1-cyclobutene-3-one
2-[3-(4-メチルフェニル)-2-プロピニル]-1-シクロブテン-3-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： C14H12O
Molecular formula furigana： C14-H12-O
Molecular weight： 196.249
InChI：
InChI=1S/C14H12O/c1-11-5-7-12(8-6-11)3-2-4-13-9-10-14(13)15/h5-9H,4,10H2,1H3
InChI key：
PTCQOPYJIWRXHB-UHFFFAOYSA-N
SMILES：
Cc1ccc(cc1)C#CCC1=CCC1=O
Systematic name (3)：
- 2-[3-(4-メチルフェニル)-2-プロピニル]-1-シクロブテン-3-オン
- 2-[3-(4-メチルフェニル)プロパ-2-イン-1-イル]シクロブタ-2-エン-1-オン
- 2-[3-(4-methylphenyl)prop-2-yn-1-yl]cyclobut-2-en-1-one
- 2-[3-(4-Methylphenyl)-2-propynyl]-1-cyclobutene-3-one
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