Chem
J-GLOBAL ID：200907099819639694
Nikkaji number：J1.474.387A
3,3-Dimethyl-4-oxo-4-chlorobutyric acid allyl ester
3,3-ジメチル-4-オキソ-4-クロロ酪酸アリル
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： C9H13ClO3
Molecular formula furigana： C9-H13-CL-O3
Molecular weight： 204.650
InChI：
InChI=1S/C9H13ClO3/c1-4-5-13-7(11)6-9(2,3)8(10)12/h4H,1,5-6H2,2-3H3
InChI key：
IDASQPFLCYMAAQ-UHFFFAOYSA-N
SMILES：
CC(C)(CC(=O)OCC=C)C(=O)Cl
Systematic name (3)：
- 3,3-ジメチル-4-オキソ-4-クロロ酪酸アリル
- プロパ-2-エン-1-イル 4-クロロ-3,3-ジメチル-4-オキソブタノアート
- prop-2-en-1-yl 4-chloro-3,3-dimethyl-4-oxobutanoate
- 3,3-Dimethyl-4-oxo-4-chlorobutyric acid allyl ester
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