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315246-02-7

315246-02-7 structural image
Product Name: 4H,5H-PYRANO[4,3-B]PYRAN-3-CARBONITRILE, 2-AMINO-7-METHYL-4-(2-NITROPHENYL)-5-OXO-
Formula: C16H11N3O5
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COMPUTED DESCRIPTORS

Molecular Weight 325.27 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 1
Exact Mass 325.06987046 g/mol
Monoisotopic Mass 325.06987046 g/mol
Topological Polar Surface Area 131 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 749
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes