Chem
J-GLOBAL ID：200907044681594563
Nikkaji number：J110.419E
3-Hepten-2-one
3-ヘプテン-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： C7H12O
Molecular formula furigana： C7-H12-O
Molecular weight： 112.172
InChI：
InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3
InChI key：
JHHZQADGLDKIPM-UHFFFAOYSA-N
SMILES：
CCCC=CC(=O)C
Systematic name (3)：
- 3-ヘプテン-2-オン
- ヘプタ-3-エン-2-オン
- hept-3-en-2-one
- 3-Hepten-2-one
Regulation number (2)：
- EINECS2142788
- TSCA(1119-44-4)
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