Chem
J-GLOBAL ID：200907022333817377
Nikkaji number：J4.508J
Acetoacetic acid
アセト酢酸
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： C4H6O3
Molecular formula furigana： C4-H6-O3
Molecular weight： 102.089
InChI：
InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
InChI key：
WDJHALXBUFZDSR-UHFFFAOYSA-N
SMILES：
CC(=O)CC(=O)O
Systematic name (8)：
- 3-オキソブタン酸
- β-ケト酪酸
- 3-オキソ酪酸
- アセチル酢酸
- 3-ケト酪酸
Show all
- アセトンカルボン酸
- Acetoacetic acid
- 3-Oxobutyric acid
- Acetylacetic acid
- 3-Ketobutyric acid
Show all
KEGG COMPOUND：
C00164
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