3-Oxoheptanoic Acid

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Properties Simple | Detailed

Formula C7H12O3
IUPAC Name 3-oxoheptanoic acid
Molecular Mass 144.168 g·mol−1
Heat of Formation -644.8 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 186.59 Å 3
Surface Area 193.3 Å 2
HOMO Energy -10.55 ± 0.55 eV
LUMO Energy 3.46 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ketoenanthic acid
  • 3-oxo-heptanoic acid
  • heptanoic acid, 3-oxo-
  • lmfa01060012
  • n-valeryl acetic acid
CAS Number(s)
  • 63563-21-3
InChIKey PRRBQHNMYJRHFW-UHFFFAOYSA-N
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