(9R,10R)-9,10-Dihydrobenzo[Pqr]Tetraphene-9,10-Diol

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Properties Simple | Detailed

Formula C20H14O2
IUPAC Name (9r,10r)-9,10-dihydrobenzo[a]pyrene-9,10-diol
Molecular Mass 286.324 g·mol−1
Heat of Formation -46.4 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 323.08 Å 3
Surface Area 284.01 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-trans-9,10-dihydroxy-9,10-dihydrobenzo(a)pyrene
  • (9r,10r)-9,10-dihydrobenzo[a]pyrene-9,10-diol
  • benzo(a)pyrene, 9,10-dihydro-9,10-dihydroxy-, (+-)-trans-
  • benzo(a)pyrene, 9,10-dihydro-9,10-dihydroxy-, (e)-
  • benzo(a)pyrene-9,10-dihydrodiol, trans-(+/-)-
  • bp-9,10-dihydrodiol
  • trans-9,10-dihydro-9,10-dihydroxybenzo(a)pyrene
  • trans-9,10-dihydroxy-9,10-dihydrobenzo(a)pyrene
  • trans-benzo(a)pyrene-9,10-dihydrodiol
CAS Number(s)
  • 58030-91-4
  • 58886-98-9
  • 62600-11-7
InChIKey GHARBPKRUUKTCI-UZLBHIALSA-N
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