1-Methylchrysene

• CAS: 3351-28-8
• Catalog Number: ACM3351288
• Category: Other Products
• Molecular Weight: 242.3
• Molecular Formula: C19H14
• Synonyms: Chrysene, 1-methyl-
• IUPAC Name: 1-methylchrysene
• Canonical SMILES: CC1=CC=CC2=C1C=CC3=C2C=CC4=CC=CC=C43
• InChI Key: LQKGSLMFGWWLIU-UHFFFAOYSA-N
• Boiling Point: 449.4ºC at 760 mmHg
• Flash Point: 217.8ºC
• Density: 1.164 g/cm³
• Complexity: 320
• Defined Atom Stereocenter Count: 0
• EC Number: 222-112-0
• Exact Mass: 242.1095
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 242.1095
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 0 Ų
• XLogP3-AA: 6.4