CCOC(=O)C(C(=O)C)Cl
CAS: 609-15-4
Nom: ethyl 2-chloro-3-oxobutanoate
SMILES: CCOC(=O)C(C(=O)C)Cl

Molecular Processing

Molecular formula
C6H9ClO3
Molecular weight
164.59
Exact mass
164.024
XLogP
0.75
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
36.96

Supplementary Information

InChIKey: RDULEYWUGKOCMR-UHFFFAOYSA-N
Synonymes
Ethyl 2-chloroacetoacetate609-15-4Ethyl alpha-chloroacetoacetateButanoic acid, 2-chloro-3-oxo-, ethyl esterA 21960DTXSID3049330A9GFN94N9ANSC-78426DTXCID8029286A-21960RefChem:138585210-180-4Ethyl 2-chloro-3-oxobutanoate2-Chloroacetoacetic acid ethyl esterEthyl 2-chloracetoacetateEthyl-2-chloracetoacetate2-Chloro-3-oxobutyric acid ethyl esterEthyl 2-chloro-3-oxobutyrate2-Chloro-3-oxobutanoic acid, ethyl esterAcetoacetic acid, 2-chloro-, ethyl esterNSC 78426Ethyl .alpha.-chloroacetoacetateethyl-2-chloroacetoacetateMFCD00009141ETHYL 2-CHLORO-3-OXO-BUTANOATE2-chloro-3-oxo-butyric acid ethyl esterEthyl2-chloroacetoacetateCCRIS 6889EINECS 210-180-4ethyl 2-choroacetoacetate
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Recherche Etendue

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