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5101-27-9

5101-27-9 structural image
Product Name: Pyrene, 1-phenyl-
Formula: C22H14
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 486.34 486.34 457.93 457.93

COMPUTED DESCRIPTORS

Molecular Weight 278.3 g/mol
XLogP3 6.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 278.109550447 g/mol
Monoisotopic Mass 278.109550447 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 393
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