(7R,8S,8As,9Ar)-5-Methyl-7,8,8A,9A-Tetrahydrochryseno[3,4-B]Oxirene-7,8-Diol

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Formula C19H16O3
IUPAC Name (7r,8s,8as,9ar)-5-methyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-diol
Molecular Mass 292.329 g·mol−1
Heat of Formation -152.2 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 335.19 Å 3
Surface Area 294.2 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (r,s,s,r)-anti-5-methylchrysene-7,8-diol-9,10-epoxide
  • 5-methylchrysene-7s,8r-diol-9r,10s-epoxide
  • chrysene-1,2-diol, 1,2,3,4-tetrahydro-3,4-epoxy-11-methyl-, (1r-(1-alpha,2-beta,3-beta,4-beta))-
  • chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-10-methyl-, (1r-(1alpha,2beta,2aalpha,3aalpha))- (9ci)
CAS Number(s)
  • 111901-41-8
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