(7R,8R)-7,8-Dihydrobenzo[Pqr]Tetraphene-3,7,8-Triol

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Properties Simple | Detailed

Formula C20H14O3
IUPAC Name (7r,8r)-7,8-dihydrobenzo[a]pyrene-3,7,8-triol
Molecular Mass 302.323 g·mol−1
Heat of Formation -231.3 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 336.07 Å 3
Surface Area 296.7 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • (7r,8r)-7,8-dihydrobenzo[h]pyrene-3,7,8-triol
  • 3-hydroxy-7,8-dihydro-7,8-dihydroxybenzo(a)pyrene
  • trans-3,7,8-trihydroxy-7,8-dihydrobenzo(a)pyrene
CAS Number(s)
  • 99346-47-1
InChIKey OOAWJGIFGOEOFI-YLJYHZDGSA-N
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