(3S,4S)-3,4-Dihydrobenzo[C]Phenanthrene-3,4-Diol

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Properties Simple | Detailed

Formula C18H14O2
IUPAC Name (3s,4s)-3,4-dihydrobenzo[g]phenanthrene-3,4-diol
Molecular Mass 262.303 g·mol−1
Heat of Formation -71.0 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 304.6 Å 3
Surface Area 272.64 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (+/-)-benzo(c)phenanthrene-3,4-dihydrodiol
  • (9s,10s)-9,10-dihydrobenzo[c]phenanthrene-9,10-diol
  • 3,4-dihydrobenzo(c)phenanthrene-3,4-diol trans-(+-)-
  • benzo(c)phenanthrene-3,4-diol, 3,4-dihydro-, (3r,4r)-rel-
  • benzo(c)phenanthrene-3,4-diol, 3,4-dihydro-, trans-
  • benzo(c)phenanthrene-3,4-diol, 3,4-dihydro-, trans-(+-)-
CAS Number(s)
  • 73093-19-3
  • 79117-84-3
InChIKey YODUEJDKYWAYEB-WMZOPIPTSA-N
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