(7S,8R)-7,8-Dihydrobenzo[Pqr]Tetraphene-7,8-Diol

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Properties Simple | Detailed

Formula C20H14O2
IUPAC Name (7s,8r)-7,8-dihydrobenzo[a]pyrene-7,8-diol
Molecular Mass 286.324 g·mol−1
Heat of Formation -45.4 ± 16.7 kJ·mol−1
Dipole Moment 0.90 ± 1.08 D
Volume 324.25 Å 3
Surface Area 287.58 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,8r)-7,8-dihydrobenzo[a]pyrene-7,8-diol
  • benzo(a)pyrene-7,8-diol, 7,8-dihydro-, cis-(+-)-
  • cis(+-)-7,8-dihydro-7,8-dihydroxybenzo(a)pyrene
CAS Number(s)
  • 76188-90-4
InChIKey YDXRLMMGARHIIC-XLIONFOSSA-N
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