1-Methylbenzo[Pqr]Tetraphene

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Properties Simple | Detailed

Formula C21H14
IUPAC Name 1-methylbenzo[a]pyrene
Molecular Mass 266.336 g·mol−1
Heat of Formation 299.4 ± 16.7 kJ·mol−1
Dipole Moment 0.90 ± 1.08 D
Volume 315.95 Å 3
Surface Area 282.52 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-methyl-bp
  • 1-methylbenzo(a)pyrene
  • 1-methylbenzopyrene
  • benzo(a)pyrene, 1-methyl-
CAS Number(s)
  • 40568-90-9
InChIKey WMAYPBMLSQKCHA-UHFFFAOYSA-N
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Elements H C