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Homecas105596-42-7

105596-42-7

105596-42-7 structural image
Product Name: 1-nitropyrene-4,5-oxide
Formula: C16H9NO3
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COMPUTED DESCRIPTORS

Molecular Weight 263.25 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 263.058243149 g/mol
Monoisotopic Mass 263.058243149 g/mol
Topological Polar Surface Area 58.4 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 448
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes