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

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Properties Simple | Detailed

Formula C21H16O2
IUPAC Name (7r,8r)-8-methyl-7h-benzo[a]pyrene-7,8-diol
Molecular Mass 300.351 g·mol−1
Heat of Formation -91.4 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 345.23 Å 3
Surface Area 299.46 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
InChIKey HKORPCYPDGWFEZ-NHCUHLMSSA-N
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