3-Acetyl-2,5-Hexanedione

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Properties Simple | Detailed

Formula C8H12O3
IUPAC Name 3-acetylhexane-2,5-dione
Molecular Mass 156.179 g·mol−1
Heat of Formation -594.3 ± 16.7 kJ·mol−1
Dipole Moment 2.43 ± 1.08 D
Volume 200.51 Å 3
Surface Area 192.86 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy 3.31 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-hexanedione, 3-acetyl-
  • 3-ethanoylhexane-2,5-dione
CAS Number(s)
  • 42781-07-7
InChIKey XJOUXLQTCBNSBY-UHFFFAOYSA-N
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Elements H C O