Ethyl 2-Chloroacetoacetate

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Properties Simple | Detailed

Formula C6H9ClO3
IUPAC Name ethyl 4-chloro-3-oxo-butanoate
Molecular Mass 164.587 g·mol−1
Heat of Formation -630.0 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 183.17 Å 3
Surface Area 174.98 Å 2
HOMO Energy -10.74 ± 0.55 eV
LUMO Energy 2.88 ± eV
Point Group Symmetry C1
Synonyms
  • 4-chloro-3-keto-butyric acid ethyl ester
  • 4-chloro-3-oxobutanoic acid ethyl ester
  • acetoacetic acid, 4-chloro-, ethyl ester
  • butanoic acid, 4-chloro-3-oxo-, ethyl ester
  • ethyl 4-chloro-3-oxobutanoate
  • ethyl 4-chloroacetoacetate
  • ethyl gamma-chloroacetoacetate
  • ghl.pd_mitscher_leg0.842
CAS Number(s)
  • 638-07-3
InChIKey OHLRLMWUFVDREV-UHFFFAOYSA-N
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Elements H C O Cl