3-Methylcholanthrene-trans-7,8-Dihydrodiol
[CAS# 68688-86-8]

Identification

• Name: 3-Methylcholanthrene-trans-7,8-Dihydrodiol
• Synonyms: Trans-7,8-Dihydro-7,8-Dihydroxy-3-Methylcholanthrene; 3-Methylcholanthrene-Trans-7,8-Dihydrodiol; Benz(J)Aceanthrylene-7,8-Diol, 1,2,7,8-Tetrahydro-3-Methyl-, Trans-
• Molecular Formula: C₂₁H₁₈O₂
• Molecular Weight: 302.37
• CAS Registry Number: 68688-86-8
• SMILES: [C@@H]1(C4=C(C=C[C@@H]1O)C=CC5=C2CCC3=C2C(=CC=C3C)C=C45)O
• InChI: 1S/C21H18O2/c1-11-2-3-13-10-17-15(16-8-7-14(11)19(13)16)6-4-12-5-9-18(22)21(23)20(12)17/h2-6,9-10,18,21-23H,7-8H2,1H3/t18-,21+/m0/s1
• InChIKey: PLOSOTOGRJEVNA-GHTZIAJQSA-N

Properties

• Density: 1.378g/cm³ (Cal.)
• Boiling point: 588.565°C at 760 mmHg (Cal.)
• Flash point: 282.083°C (Cal.)