(9S,10S)-9,10-Dihydrobenzo[E]Acephenanthrylene-6,9,10-Triol

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Properties Simple | Detailed

Formula C20H14O3
IUPAC Name (9s,10s)-9,10-dihydrobenzo[e]acephenanthrylene-6,9,10-triol
Molecular Mass 302.323 g·mol−1
Heat of Formation -181.5 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 338.55 Å 3
Surface Area 301.98 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry C1
Synonyms
  • 6-hydroxy-trans-9,10-dihydro-9,10-dihydroxybenzo(b)fluoranthene
  • 9,10-dihydro-6,9,10-trihydroxybenzo(b)fluoranthene
  • benz(e)acephenanthrylene-6,9,10-triol, 9,10-dihydro-, trans-
  • dh-6,9,10-thbf
  • trans-9,10-dihydro-6,9,10-trihydroxyb(b)f
  • trans-9,10-dihydrobenz(e)acephenanthrylene-6,9,10-triol
CAS Number(s)
  • 114451-05-7
InChIKey JJJOHZHXXPAIDI-ICSRJNTNSA-N
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