(1As,2S,3R,11Cr)-1A,2,3,11C-Tetrahydrotetrapheno[1,2-B]Oxirene-2,3-Diol

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Formula C18H14O3
IUPAC Name (1as,2s,3r,11cr)-1a,2,3,11c-tetrahydrotetrapheno[1,2-b]oxirene-2,3-diol
Molecular Mass 278.302 g·mol−1
Heat of Formation -156.6 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 313.43 Å 3
Surface Area 279.61 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(1r,2s,3s,4r)-3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene
  • benz(a)anthracene-3-beta,4-alpha-diol, 1,2,3,4-tetrahydro-1-beta,2-beta-epoxy-, (+)-
CAS Number(s)
  • 80446-23-7
InChIKey JNQSJMYLVFOQBK-XDNAFOTISA-N
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