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1246610-72-9

1246610-72-9 structural image
Product Name: Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]-
Formula: C13H11N3O3
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COMPUTED DESCRIPTORS

Molecular Weight 257.24 g/mol
XLogP3 0.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 257.08004122 g/mol
Monoisotopic Mass 257.08004122 g/mol
Topological Polar Surface Area 81.5 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 465
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