1-Methylpyrene

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Properties Simple | Detailed

Formula C17H12
IUPAC Name 1-methylpyrene
Molecular Mass 216.277 g·mol−1
Heat of Formation 224.6 ± 16.7 kJ·mol−1
Dipole Moment 0.87 ± 1.08 D
Volume 261.24 Å 3
Surface Area 239.0 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-methyl pyrene
  • 3-methylpyrene
  • fr-0080
  • methylpyrene
  • pyrene, 1-methyl-
  • pyrene, methyl-
CAS Number(s)
  • 27577-90-8
  • 2381-21-7
InChIKey KBSPJIWZDWBDGM-UHFFFAOYSA-N
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Elements H C