Ethyl (3S)-4-Chloro-3-Hydroxybutanoate

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Properties Simple | Detailed

Formula C6H11ClO3
IUPAC Name ethyl (3s)-4-chloro-3-hydroxy-butanoate
Molecular Mass 166.603 g·mol−1
Heat of Formation -672.7 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 193.72 Å 3
Surface Area 198.32 Å 2
HOMO Energy -10.78 ± 0.55 eV
LUMO Energy 0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (−)-ethyl (s)-4-chloro-3-hydroxybutyrate
  • (3s)-4-chloro-3-hydroxy-butyric acid ethyl ester
  • (3s)-4-chloro-3-hydroxybutanoic acid ethyl ester
  • ethyl (3s)-4-chloro-3-hydroxy-butanoate
CAS Number(s)
  • 86728-85-0
InChIKey ZAJNMXDBJKCCAT-YFKPBYRVSA-N
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Elements H C O Cl