Hinokitiol

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Properties Simple | Detailed

Formula C10H12O2
IUPAC Name 2-hydroxy-6-(1-methylethyl)cyclohepta-2,4,6-trien-1-one
Molecular Mass 164.201 g·mol−1
Heat of Formation -227.2 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 208.99 Å 3
Surface Area 201.45 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-isopropyltropolon
  • .beta.-thujaplicin
  • .beta.-thujaplicine
  • 2,4,6-cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-
  • 2,4,6-cycloheptatrien-1-one, 2-hydroxy-4-isopropyl-
  • 2-hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one
  • 2-hydroxy-4-isopropyl-2,4,6-cyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one
  • 2-hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-6-isopropyl-1-cyclohepta-2,4,6-trienone
  • 2-hydroxy-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
  • 4-isopropyltropolone
  • bb_nc-1273
  • beta-isopropyltropolon
  • beta-isopropyltropolone
  • beta-thujaplicin
  • beta-thujaplicine
  • bio2_000343
  • bio2_000823
  • d04876
  • hinokitiol 4-isopropyltropolone
  • hinokitol
  • isopropyltropolone
  • qtl1_000044
  • thujaplicin, beta
  • tropolone, 4-isopropyl-
CAS Number(s)
  • 499-44-5
  • 772-41-8
InChIKey FUWUEFKEXZQKKA-UHFFFAOYSA-N
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