(6Br,7As,8R,9S)-6B,7A,8,9-Tetrahydrobenzo[1,12]Tetrapheno[8,9-B]Oxirene-8,9-Diol

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Formula C20H14O3
IUPAC Name (6br,7as,8r,9s)-6b,7a,8,9-tetrahydrobenzo[1,12]tetrapheno[8,9-b]oxirene-8,9-diol
Molecular Mass 302.323 g·mol−1
Heat of Formation -156.3 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 332.24 Å 3
Surface Area 288.15 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
Synonyms
  • (+/-)-benzo(a)pyrene-9,10-diol-7,8-epoxide,syn
  • benzo(10,11)chryseno(1,2-b)oxirene-8,9-diol, 6b,7a,8,9-tetrahydro-, (6b-alpha,7a-alpha,8-alpha,9-beta)-(+-)-
CAS Number(s)
  • 58116-22-6
InChIKey VAHKPYXMVVSHGS-NMLBUPMWSA-N
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