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315246-05-0

315246-05-0 structural image
Product Name: 4H,5H-PYRANO[4,3-B]PYRAN-3-CARBONITRILE, 2-AMINO-4-(4-ETHOXYPHENYL)-7-METHYL-5-OXO-
Formula: C18H16N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 324.3 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 324.11100700 g/mol
Monoisotopic Mass 324.11100700 g/mol
Topological Polar Surface Area 94.6 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 687
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

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