(2As,3R)-3-Methyl-1,2-Dihydrocyclopenta[Ij]Tetraphene-2A,3(3H)-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C21H18O2
IUPAC Name (2as,3r)-3-methyl-1,2-dihydrobenzo[j]aceanthrylene-2a,3-diol
Molecular Mass 302.366 g·mol−1
Heat of Formation -135.3 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 353.52 Å 3
Surface Area 303.72 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-dihydroxy-3-methylcholanthrene
  • 3-methylcholanthrene-cis-2a,3-diol
  • benz(j)aceanthrylene-2a,3(3h)-diol, 1,2-dihydro-3-methyl-, (z)-
  • benz(j)aceanthrylene-2a,3(3h)-diol, 1,2-dihydro-3-methyl-, cis-
  • cholanthrene-2a,3-diol, 2a,3-dihydro-3-methyl-, (z)-
  • cis-1,2-dihydro-3-methylbenz(j)aceanthrylene-2a,3(3h)-diol
  • cis-2-alpha,3-dihydrodihydroxy-3-methylcholanthrene
  • cis-2a,3-dihydroxy-3-methylcholanthrene
CAS Number(s)
  • 68688-84-6
InChIKey DDOUAHQYFGDWTO-RTWAWAEBSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O