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115664-49-8

115664-49-8 structural image
Product Name: 4,5-Epoxy-1-nitro-4,5-dihydrobenzo(e)pyrene
Formula: C20H11NO3
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COMPUTED DESCRIPTORS

Molecular Weight 313.3 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 313.07389321 g/mol
Monoisotopic Mass 313.07389321 g/mol
Topological Polar Surface Area 58.4 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 560
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes