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88598-57-6

88598-57-6 structural image
Product Name: 3-nitro-7,8,9,10-tetrahydrobenzo(a)pyrene
Formula: C20H15NO2
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COMPUTED DESCRIPTORS

Molecular Weight 301.3 g/mol
XLogP3 6.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 301.110278721 g/mol
Monoisotopic Mass 301.110278721 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 487
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