Acetoacetic Acid

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Properties Simple | Detailed

Formula C4H6O3
IUPAC Name 3-oxobutanoic acid
Molecular Mass 102.089 g·mol−1
Heat of Formation -591.6 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 120.66 Å 3
Surface Area 132.1 Å 2
HOMO Energy -10.67 ± 0.55 eV
LUMO Energy 3.33 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ketobutyrate
  • 3-oxo-butanoic acid
  • 3-oxo-butyric acid
  • 3-oxobutanate
  • 3-oxobutyric acid
  • aae
  • acetoacetate
  • acetonecarboxylic acid
  • acetylacetic acid
  • beta-ketobutyric acid
  • butanoic acid, 3-oxo-
  • diacetic acid
  • lin
  • lmfa01060003
  • oxobutyrate
  • t0515-8577
CAS Number(s)
  • 161879-89-6
  • 541-50-4
InChIKey WDJHALXBUFZDSR-UHFFFAOYSA-N
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Elements H C O