5-Pyrimidinecarbonitrile, 1,2-dihydro-2-oxo-


Chemical Name: 5-Pyrimidinecarbonitrile, 1,2-dihydro-2-oxo-
CAS Number: 1753-49-7
Product Number: AG0020VS(AGN-PC-00KYHA)
Synonyms:
MDL No:
Molecular Formula: C5H3N3O
Molecular Weight: 121.0968

Identification/Properties


Properties
MP:
266-268°C
BP:
425.7°C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
121.099g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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