Chem
J-GLOBAL ID：200907026291325229
Nikkaji number：J1.847.135C
4-Oxo-5,5-dimethylhexanoic acid
4-オキソ-5,5-ジメチルヘキサン酸
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： C8H14O3
Molecular formula furigana： C8-H14-O3
Molecular weight： 158.197
InChI：
InChI=1S/C8H14O3/c1-8(2,3)6(9)4-5-7(10)11/h4-5H2,1-3H3,(H,10,11)
InChI key：
FSZDZPZFDKTEIM-UHFFFAOYSA-N
SMILES：
CC(C)(C)C(=O)CCC(=O)O
Systematic name (3)：
- 4-オキソ-5,5-ジメチルヘキサン酸
- 5,5-ジメチル-4-オキソヘキサン酸
- 5,5-dimethyl-4-oxohexanoic acid
- 4-Oxo-5,5-dimethylhexanoic acid
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