5-Pyrimidinecarbonitrile, 1,4-dihydro-4-oxo-


Chemical Name: 5-Pyrimidinecarbonitrile, 1,4-dihydro-4-oxo-
CAS Number: 4774-34-9
Product Number: AG006ZQ3(AGN-PC-0OANM8)
Synonyms:
MDL No:
Molecular Formula: C5H3N3O
Molecular Weight: 121.0968

Identification/Properties


Computed Properties
Molecular Weight:
121.099g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
121.028g/mol
Monoisotopic Mass:
121.028g/mol
Topological Polar Surface Area:
65.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
242
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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