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479-23-2

479-23-2 structural image
Product Name: CHOLANTHRENE
Formula: C20H14
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Faintly yellow solid; [Merck Index]
Color/Form Faintly yellow plates from benzene + ether
Melting Point 170.4 °C
Solubility In water, 3.5X10-3 mg/L at 25 °C
Vapor Pressure 0.00000007 [mmHg]
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Other Experimental Properties Sublimes at 210-215 °C at 0.2 mm Hg
Chemical Classes Other Classes -> Polycyclic Aromatic Hydrocarbons

COMPUTED DESCRIPTORS

Molecular Weight 254.3 g/mol
XLogP3 6.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 254.109550447 g/mol
Monoisotopic Mass 254.109550447 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 372
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes