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

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Properties Simple | Detailed

Formula C21H16O2
IUPAC Name (7s,8s)-8-methyl-7h-benzo[a]pyrene-7,8-diol
Molecular Mass 300.351 g·mol−1
Heat of Formation -75.5 ± 16.7 kJ·mol−1
Dipole Moment 0.45 ± 1.08 D
Volume 345.47 Å 3
Surface Area 300.6 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,8s)-8-methyl-7h-benzo[a]pyrene-7,8-diol
  • 7,8-ddmbp
  • 7,8-dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene
  • benzo(a)pyrene-7,8-diol, 7,8-dihydro-8-methyl-, trans-
  • trans-7,8-dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene
CAS Number(s)
  • 89524-80-1
InChIKey HKORPCYPDGWFEZ-SFTDATJTSA-N
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