6-Methylbenzo(A)Pyrene

Molecule SVG Image

Properties Simple | Detailed

Formula C21H14
IUPAC Name 6-methylbenzo[a]pyrene
Molecular Mass 266.336 g·mol−1
Heat of Formation 308.5 ± 16.7 kJ·mol−1
Dipole Moment 1.03 ± 1.08 D
Volume 313.53 Å 3
Surface Area 278.7 Å 2
HOMO Energy -8.00 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry Cs
Synonyms
  • 5-methyl-3,4-benzopyrene
  • 5-methyl-3,4-benzpyrene
  • 6-methylbenzo(def)chrysene
  • 6-methylbenzo[b]pyrene
  • benzo(a)pyrene, 6-methyl-
CAS Number(s)
  • 94537-20-9
  • 2381-39-7
InChIKey YFYHJNJCAGHSFA-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C