3-Methyl-11,12-Epoxy-1,2-Dihydrobenz[j]Aceanthrylene
[CAS# 67195-51-1]

Identification

• Name: 3-Methyl-11,12-Epoxy-1,2-Dihydrobenz[j]Aceanthrylene
• Synonyms: Benz(7,8)Aceanthryleno(9,10-B)Oxirene, 3-Methyl-; Cholanthrene, 3-Methyl-11,12-Epoxy-; Mca-11,12-Epoxide
• Molecular Formula: C₂₁H₁₄O
• Molecular Weight: 282.34
• CAS Registry Number: 67195-51-1
• SMILES: C1=C6C5=C(C3=C1C2=CC=CC=C2C4OC34)C=CC5=C(C=C6)C
• InChI: 1S/C21H14O/c1-11-6-7-12-10-17-14-4-2-3-5-15(14)20-21(22-20)19(17)16-9-8-13(11)18(12)16/h2-10,20-21H,1H3
• InChIKey: NSSVPEQRQUSMMH-UHFFFAOYSA-N

Properties

• Density: 1.339g/cm³ (Cal.)
• Boiling point: 531.998°C at 760 mmHg (Cal.)
• Flash point: 255.544°C (Cal.)