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94500-53-5

94500-53-5 structural image
Product Name: 11-hydroxymethylbenzo(a)pyrene
Formula: C21H14O
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COMPUTED DESCRIPTORS

Molecular Weight 282.3 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 282.104465066 g/mol
Monoisotopic Mass 282.104465066 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 418
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