Thymoquinone

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Properties Simple | Detailed

Formula C10H12O2
IUPAC Name 2-isopropyl-5-methyl-1,4-benzoquinone
Molecular Mass 164.201 g·mol−1
Heat of Formation -248.8 ± 16.7 kJ·mol−1
Dipole Moment 0.30 ± 1.08 D
Volume 212.37 Å 3
Surface Area 202.8 Å 2
HOMO Energy -10.27 ± 0.55 eV
LUMO Energy 1.30 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,5-cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-
  • 2,5-cyclohexadiene-1,4-dione, 5-isopropyl-2-methyl-
  • 2-isopropyl-5-methyl-p-benzoquinone
  • 2-isopropyl-5-methylbenzo-1,4-quinone
  • 2-isopropyl-5-methylbenzoquinone
  • 2-methyl-5-propan-2-yl-cyclohexa-2,5-diene-1,4-dione
  • 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
  • fr-1185
  • p-cymene-2,5-dione
  • p-mentha-3,6-diene-2,5-dione
  • p-mentha-3,6-diene-2,5-dione (8ci)
  • polythymoquinone
  • thymoquinon
CAS Number(s)
  • 490-91-5
  • 73940-92-8
InChIKey KEQHJBNSCLWCAE-UHFFFAOYSA-N
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