Chem
J-GLOBAL ID：200907020994913671
Nikkaji number：J1.424.805F
3-Oxo-5-hexenoic acid methyl ester
3-オキソ-5-ヘキセン酸メチル
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： C7H10O3
Molecular formula furigana： C7-H10-O3
Molecular weight： 142.154
InChI：
InChI=1S/C7H10O3/c1-3-4-6(8)5-7(9)10-2/h3H,1,4-5H2,2H3
InChI key：
RWTBUPAPBAYJBO-UHFFFAOYSA-N
SMILES：
COC(=O)CC(=O)CC=C
Systematic name (3)：
- 3-オキソ-5-ヘキセン酸メチル
- メチル 3-オキソヘキサ-5-エノアート
- methyl 3-oxohex-5-enoate
- 3-Oxo-5-hexenoic acid methyl ester
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