β-Ketoadipic Acid

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Properties Simple | Detailed

Formula C6H8O5
IUPAC Name 3-oxohexanedioic acid
Molecular Mass 160.125 g·mol−1
Heat of Formation -963.0 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 180.22 Å 3
Surface Area 186.05 Å 2
HOMO Energy -10.74 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ketoadipate
  • 3-ketoadipic
  • 3-ketoadipic acid
  • 3-oxoadipic acid
  • beta-ketoadipate
  • beta-oxoadipic acid
  • hexanedioic acid, 3-oxo-
CAS Number(s)
  • 689-31-6
InChIKey RTGHRDFWYQHVFW-UHFFFAOYSA-N
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Elements H C O