Urushiol I

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Properties Simple | Detailed

Formula C21H36O2
IUPAC Name 3-pentadecylbenzene-1,2-diol
Molecular Mass 320.509 g·mol−1
Heat of Formation -592.6 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 456.59 Å 3
Surface Area 418.25 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzenediol, 3-pentadecyl-
  • 1,2-benzenediol, 3-pentadecyl- (9ci)
  • 3-n-pentadecylcatechol
  • 3-n-pentadecylpyrocatechol
  • 3-pentadecacatechol
  • 3-pentadecylcatechol
  • 3-pentadecylpyrocatechol
  • dihydrorhengol
  • hydroureshiol
  • hydrourushiol
  • pyrocatechol, 3-pentadecyl-
  • tetrahydrourushiol
  • usaf uctl-1803
CAS Number(s)
  • 492-89-7
InChIKey DQTMTQZSOJMZSF-UHFFFAOYSA-N
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