(11S,12R)-11,12-Dihydrobenzo[Pqr]Tetraphene-11,12-Diol

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Properties Simple | Detailed

Formula C20H14O2
IUPAC Name (11s,12r)-11,12-dihydrobenzo[a]pyrene-11,12-diol
Molecular Mass 286.324 g·mol−1
Heat of Formation -69.3 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 324.7 Å 3
Surface Area 283.78 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • (11s,12r)-11,12-dihydrobenzo[b]pyrene-11,12-diol
  • benzo(a)pyrene-11,12-diol, 11,12-dihydro-, cis-
  • benzo(a)pyrene-cis-11,12-dihydrodiol
  • benzo(a)pyrene-cis-11,12-diol
  • cis-11, 12-dihydro-11,12-benzo(a)pyrenediol
  • cis-benzo(a)pyrene-11,12-dihydrodiol
CAS Number(s)
  • 64283-13-2
InChIKey SGHZUKBSLLOHPU-UXHICEINSA-N
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