(1Ar,2R,3S,11Cs)-6-Methyl-1A,2,3,11C-Tetrahydrotetrapheno[1,2-B]Oxirene-2,3-Diol

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Formula C19H16O3
IUPAC Name (1ar,2r,3s,11cs)-6-methyl-1a,2,3,11c-tetrahydrotetrapheno[1,2-b]oxirene-2,3-diol
Molecular Mass 292.329 g·mol−1
Heat of Formation -156.4 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 331.69 Å 3
Surface Area 294.68 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • (+/-)-anti-7-methylbenz(a)anthracene 3,4-dihydrodiol 1,2-epoxide
  • (+/-)-anti-7-methylbenz(a)anthracene-3,4-dihydrodiol-1,2-epoxide
  • 7-methylbenz(a)anthracene 3,4-dihydrodiol 1,2-epoxide
  • benzo(6,7)phenanthro(3,4-b)oxirene-2,3-diol, 1a-2,3,11c-tetrahydro-6-methyl-, (1aalpha,2beta,3alpha,11calpha)-(+-)-
CAS Number(s)
  • 133645-02-0
InChIKey CTCQBMGFYNPCAS-ZSYWTGECSA-N
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