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220986-31-2

220986-31-2 structural image
Product Name: 4H,5H-PYRANO[4,3-B]PYRAN-3-CARBONITRILE, 2-AMINO-4-(3-HYDROXYPHENYL)-7-METHYL-5-OXO-
Formula: C16H12N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 296.28 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 296.07970687 g/mol
Monoisotopic Mass 296.07970687 g/mol
Topological Polar Surface Area 106 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 665
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