(8R,9R)-7,12-Dimethyl-8,9-Dihydro-8,9-Tetraphenediol

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Properties Simple | Detailed

Formula C20H18O2
IUPAC Name (8r,9r)-7,12-dimethyl-8,9-dihydrobenzo[b]phenanthrene-8,9-diol
Molecular Mass 290.356 g·mol−1
Heat of Formation -138.6 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 343.24 Å 3
Surface Area 298.63 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-trans-8,9-dihydroxy-8,9-dihydrodimethylbenz(a)anthracene
  • (8r,9r)-7,12-dimethyl-8,9-dihydrobenzo[b]phenanthrene-8,9-diol
  • benz(a)anthracene, 8,9-dihydro-8,9-dihydroxy-7,12-dimethyl-, (e)-
  • trans-7,12-dimethylbenz(a)anthracene-8,9-dihydrodiol
  • trans-8,9-dihydro-8,9-dihydroxy-7,12-dimethylbenz(a)anthracene
  • trans-8,9-dihydro-8,9-dihydroxy-dmba
CAS Number(s)
  • 65763-32-8
InChIKey MGVSNRUTBCLGBA-XLIONFOSSA-N
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