3-Methylcyclopenta[Ij]Tetraphen-2(1H)-One

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Properties Simple | Detailed

Formula C21H14O
IUPAC Name 3-methyl-1h-benzo[j]aceanthrylen-2-one
Molecular Mass 282.335 g·mol−1
Heat of Formation 144.2 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 328.68 Å 3
Surface Area 295.29 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-cholanthrenone, 3-methyl-
  • 3-methylcholanthren-2-one
  • 3-methylcholanthrene-2-one
  • benz(j)aceanthrylen-2(1h)-one, 3-methyl-
CAS Number(s)
  • 3343-08-6
InChIKey WZVWVFJAIXIJNQ-UHFFFAOYSA-N
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Elements H C O