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99462-32-5

99462-32-5 structural image
Product Name: 1,6-Dihydro-2-(hydroxyMethyl)-6-oxo-[3,4'-bipyridine]-5-carbonitrile
Formula: C12H9N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 227.22 g/mol
XLogP3 -1.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 227.069476538 g/mol
Monoisotopic Mass 227.069476538 g/mol
Topological Polar Surface Area 86 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 436
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