trans-7,8-Dihydroxy-7,8-Dihydro-Benzo(a)Pyrene
[CAS# 57404-88-3]

Identification

• Name: trans-7,8-Dihydroxy-7,8-Dihydro-Benzo(a)Pyrene
• Synonyms: Trans-7,8-Dihydrobenzo(A)Pyrene-7,8-Diol; Trans-7,8-Dihydroxy-7,8-Dihydro-Benzo(A)Pyrene; Trans-Benzo(A)Pyrene-7,8-Dihydrodiol
• Molecular Formula: C₂₀H₁₄O₂
• Molecular Weight: 286.33
• CAS Registry Number: 57404-88-3
• SMILES: [C@H]5(O)C1=C(C=C4C2=C1C=CC3=C2C(=CC=C3)C=C4)C=C[C@@H]5O
• InChI: 1S/C20H14O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,16,20-22H/t16-,20+/m0/s1
• InChIKey: GHARBPKRUUKTCI-OXJNMPFZSA-N

Properties

• Density: 1.46g/cm³ (Cal.)
• Boiling point: 553.277°C at 760 mmHg (Cal.)
• Flash point: 268.564°C (Cal.)