5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-2,4-dioxo-


Chemical Name: 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-2,4-dioxo-
CAS Number: 4425-56-3
Product Number: AG007298(AGN-PC-0JLR62)
Synonyms:
MDL No:
Molecular Formula: C5H3N3O2
Molecular Weight: 137.0962

Identification/Properties


Computed Properties
Molecular Weight:
137.098g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
137.023g/mol
Monoisotopic Mass:
137.023g/mol
Topological Polar Surface Area:
82A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
270
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

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NMR Spectrum


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