2,6,6-Trimethyl-2-Cyclohexene-1,4-Dione

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Properties Simple | Detailed

Formula C9H12O2
IUPAC Name 2,6,6-trimethylcyclohex-2-ene-1,4-dione
Molecular Mass 152.190 g·mol−1
Heat of Formation -341.5 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 197.53 Å 3
Surface Area 185.97 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6,6-trimethylcyclohex-2-ene-1,4-quinone
  • 2-cyclohexene-1,4-dione, 2,6,6-trimethyl-
  • 3,5,5-trimethyl-2-cyclohexene-1,4-dione
  • 4-oxo-alpha-isophorone
  • 4-oxoisophorone
  • 6-oxoisophorone
  • bb_nc-0299
  • keto-isophorone
  • ketoisophorone
  • oxopholone
  • oxophorone
CAS Number(s)
  • 1125-21-9
InChIKey AYJXHIDNNLJQDT-UHFFFAOYSA-N
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