Chem
J-GLOBAL ID：200907080406119118
Nikkaji number：J1.084.442H
3-Oxo-5-methylhexanoic acid
3-オキソ-5-メチルヘキサン酸
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： C7H12O3
Molecular formula furigana： C7-H12-O3
Molecular weight： 144.170
InChI：
InChI=1S/C7H12O3/c1-5(2)3-6(8)4-7(9)10/h5H,3-4H2,1-2H3,(H,9,10)
InChI key：
LGKQVMSGOUJVCB-UHFFFAOYSA-N
SMILES：
CC(C)CC(=O)CC(=O)O
Systematic name (3)：
- 3-オキソ-5-メチルヘキサン酸
- 5-メチル-3-オキソヘキサン酸
- 5-methyl-3-oxohexanoic acid
- 3-Oxo-5-methylhexanoic acid
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