Molecular Structure of (+)cis-7-alpha,8-beta-Dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene (CAS NO. 63323-29-5):

Systematic Name: Benzo(a)pyrene, 7-alpha,8-beta-dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydro-, (+)-cis- 
Molecular Formula: C₂₀H₁₄O₃
Molecular Weight: 302.323360 g/mol
XLogP3-AA: 2.9
H-Bond Donor: 2
H-Bond Acceptor: 3
Isomeric SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@@H]6[C@@H](O6)[C@@H]([C@H]5O)O)C=C2
InChI: InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18+,19+,20-/m0/s1
InChIKey: DQEPMTIXHXSFOR-NMLBUPMWSA-N
Index of Refraction: 1.936
Molar Refractivity: 92.08 cm³
Molar Volume: 192.5 cm³
Surface Tension: 83.8 dyne/cm
Density: 1.569 g/cm³
Flash Point: 313.2 °C
Enthalpy of Vaporization: 93.16 kJ/mol
Boiling Point: 594.2 °C at 760 mmHg
Vapour Pressure: 5.73E-15 mmHg at 25 °C
BRN of (+)cis-7-alpha,8-beta-Dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene (CAS NO. 63323-29-5): 4356684

Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.

  (+)cis-7-alpha,8-beta-Dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene with cas registry number of 63323-29-5 is also called for (+)-BP-7-alpha,8-beta-diol-9-alpha,10-alpha-epoxide 1 ; (+)-Benzo(a)pyrene-7,8-diol-9,10-epoxide, syn ; Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-alpha,8-beta-dihydroxy-9-alpha,10-alpha-epoxy-, (+)-Z- ; Benzo(a)pyrene, 7-alpha,8-beta-dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydro-, (+)-cis- .