(3S)-3-Bromo-2-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C4H5BrO3
IUPAC Name (3s)-3-bromo-2-oxo-butanoic acid
Molecular Mass 180.985 g·mol−1
Heat of Formation -514.4 ± 16.7 kJ·mol−1
Dipole Moment 1.28 ± 1.08 D
Volume 150.61 Å 3
Surface Area 154.16 Å 2
HOMO Energy -10.53 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-bromo-2-keto-butyric acid
  • (3s)-3-bromo-2-oxo-butanoic acid
  • 2-keto-3-bromobutyrate
  • butanoic acid, 3-bromo-2-oxo-, (s)-
CAS Number(s)
  • 71183-36-3
InChIKey YQKNRMUYNFVEGP-REOHCLBHSA-N
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Elements H C O Br