3-Methylcholanthrene-cis-2a,3-Diol
[CAS# 68688-84-6]

Identification

• Name: 3-Methylcholanthrene-cis-2a,3-Diol
• Synonyms: 2,3-Dihydroxy-3-Methylcholanthrene; 3-Methylcholanthrene-Cis-2A,3-Diol; Benz(J)Aceanthrylene-2A,3(3H)-Diol, 1,2-Dihydro-3-Methyl-, (Z)-
• Molecular Formula: C₂₁H₁₈O₂
• Molecular Weight: 302.37
• CAS Registry Number: 68688-84-6
• SMILES: [C@]5(O)(C)[C@@]2(O)C1=C(C=C3C(=C1CC2)C=CC4=C3C=CC=C4)C=C5
• InChI: 1S/C21H18O2/c1-20(22)10-8-14-12-18-15-5-3-2-4-13(15)6-7-16(18)17-9-11-21(20,23)19(14)17/h2-8,10,12,22-23H,9,11H2,1H3/t20-,21+/m1/s1
• InChIKey: DDOUAHQYFGDWTO-RTWAWAEBSA-N

Properties

• Density: 1.382g/cm³ (Cal.)
• Boiling point: 526.069°C at 760 mmHg (Cal.)
• Flash point: 250.139°C (Cal.)