1-Cholanthrenone, 3-Methyl-

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Properties Simple | Detailed

Formula C21H14O
IUPAC Name 3-methyl-2h-benzo[j]aceanthrylen-1-one
Molecular Mass 282.335 g·mol−1
Heat of Formation 147.5 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 329.12 Å 3
Surface Area 295.43 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-keto-3-methylcholanthrene
  • 15-keto-20-methylcholanthrene
  • 20-methylcholanthren-15-one
  • 3-methylcholanthren-1-one
  • 3-methylcholanthrene-1-one
  • benz(j)aceanthrylen-1(2h)-one, 3-methyl-
  • benz[j]aceanthrylen-1(2h)-one, 3-methyl-
  • cholanthren-1-one, 3-methyl-
CAS Number(s)
  • 3343-07-5
InChIKey MNJLMJJOUUALAQ-UHFFFAOYSA-N
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Elements H C O