3-Methylcholanthren-1-One
[CAS# 3343-07-5]

Identification

• Name: 3-Methylcholanthren-1-One
• Synonyms: 3-Methylcholanthrene-1-One; Brn 2287527; Benz(J)Aceanthrylen-1(2H)-One, 3-Methyl-
• Molecular Formula: C₂₁H₁₄O
• Molecular Weight: 282.34
• CAS Registry Number: 3343-07-5
• SMILES: C2=C1C=CC3=C(C1=CC=C2)C=C5C4=C3C(=O)CC4=C(C)C=C5
• InChI: 1S/C21H14O/c1-12-6-7-14-10-18-15-5-3-2-4-13(15)8-9-16(18)21-19(22)11-17(12)20(14)21/h2-10H,11H2,1H3
• InChIKey: MNJLMJJOUUALAQ-UHFFFAOYSA-N

Properties

• Density: 1.308g/cm³ (Cal.)
• Boiling point: 538.922°C at 760 mmHg (Cal.)
• Flash point: 241.871°C (Cal.)