7-Methylbenzo[Pqr]Tetraphene

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Properties Simple | Detailed

Formula C21H14
IUPAC Name 7-methylbenzo[a]pyrene
Molecular Mass 266.336 g·mol−1
Heat of Formation 299.6 ± 16.7 kJ·mol−1
Dipole Moment 0.77 ± 1.08 D
Volume 314.71 Å 3
Surface Area 281.72 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry Cs
Synonyms
  • 4'-methyl-3:4-benzpyrene
  • 4'-methylbenzo(a)pyrene
  • 7-methylbenzo(a)pyrene
  • benzo(a)pyrene, 7-methyl-
CAS Number(s)
  • 63041-77-0
InChIKey PYVWGNPFWVQISD-UHFFFAOYSA-N
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Elements H C