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338399-90-9

338399-90-9 structural image
Product Name: 1-ALLYL-3-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE
Formula: C9H9N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 191.19 g/mol
XLogP3 0
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 191.069476538 g/mol
Monoisotopic Mass 191.069476538 g/mol
Topological Polar Surface Area 64.4 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 375
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