2,7-Dihydroxy-4-Isopropyl-2,4,6-Cycloheptatrien-1-One

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Properties Simple | Detailed

Formula C10H12O3
IUPAC Name 2,3-dihydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one
Molecular Mass 180.200 g·mol−1
Heat of Formation -385.0 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 219.95 Å 3
Surface Area 209.64 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-thujaplicinol
  • 2,3-dihydroxy-6-isopropyl-1-cyclohepta-2,4,6-trienone
  • 2,3-dihydroxy-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one
  • 2,3-dihydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
  • 2,4,6-cycloheptatrien-1-one, 2,7-dihydroxy-4-(1-methylethyl)-
  • 2,7-dihydroxy-4-isopropylcyclohepta-2,4,6-trien-1-one
  • beta-thujaplicinol
  • cycloheptatrien-1-one, 2, 7-dihydroxy-4-isopropyl
  • cycloheptatrien-1-one, 2,7-dihydroxy-4-isopropyl-
CAS Number(s)
  • 4356-35-8
InChIKey HVGNSPLLPQWYGC-UHFFFAOYSA-N
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