(4R,5S)-4,5-Dihydrobenzo[Pqr]Tetraphene-4,5-Diol

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Properties Simple | Detailed

Formula C20H14O2
IUPAC Name (4r,5s)-4,5-dihydrobenzo[a]pyrene-4,5-diol
Molecular Mass 286.324 g·mol−1
Heat of Formation -95.3 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 322.86 Å 3
Surface Area 283.95 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s)-4,5-dihydrobenzo[a]pyrene-4,5-diol
  • benzo(a)pyrene-4,5-diol, 4,5-dihydro-, cis-
  • benzo(a)pyrene-cis-4,5-dihydrodiol
  • cis-benzo(a)pyrene-4,5-dihydrodiol
CAS Number(s)
  • 51689-89-5
InChIKey OYOQHRXJXXTZII-UXHICEINSA-N
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DOI
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