(1R,2R)-1,2-Dihydro-1,2,9-Chrysenetriol

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Properties Simple | Detailed

Formula C18H14O3
IUPAC Name (1r,2r)-1,2-dihydrochrysene-1,2,9-triol
Molecular Mass 278.302 g·mol−1
Heat of Formation -280.2 ± 16.7 kJ·mol−1
Dipole Moment 2.34 ± 1.08 D
Volume 314.4 Å 3
Surface Area 283.26 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r)-1,2-dihydrochrysene-1,2,9-triol
  • 9-hydroxy-1,2-dihydro-1,2-dihydroxychrysene
  • 9-hydroxy-trans-1,2-dihydroxy-1,2-dihydrochrysene
  • chrysene-1,2,9-triol, 1,2-dihydro-, trans-
  • trans-1,2-dihydro-1,2,9-trihydroxychrysene
  • trans-1,2-dihydrochrysene-1,2,9-triol
  • trans-9-hydroxychrysene-1,2-diol
CAS Number(s)
  • 96383-86-7
InChIKey JFASKOMZALMVIL-QZTJIDSGSA-N
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