Chem
J-GLOBAL ID：200907095269417669
Nikkaji number：J1.474.386C
2,2-Dimethyl-4-oxo-4-chlorobutyric acid allyl ester
2,2-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/c1-4-5-13-8(12)9(2,3)6-7(10)11/h4H,1,5-6H2,2-3H3
InChI key：
PUCICDPKDGSONL-UHFFFAOYSA-N
SMILES：
CC(C)(CC(=O)Cl)C(=O)OCC=C
Systematic name (3)：
- 2,2-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-2,2-ジメチル-4-オキソブタノアート
- prop-2-en-1-yl 4-chloro-2,2-dimethyl-4-oxobutanoate
- 2,2-Dimethyl-4-oxo-4-chlorobutyric acid allyl ester
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