4-Pyrimidinecarboxylic acid


Chemical Name: 4-Pyrimidinecarboxylic acid
CAS Number: 31462-59-6
Product Number: AG003U2Y(AGN-PC-0JPQS7)
Synonyms:
MDL No: MFCD00129737
Molecular Formula: C5H4N2O2
Molecular Weight: 124.0975

Identification/Properties


Properties
MP:
229.8-231.9 °C
BP:
318.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
124.099g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
124.027g/mol
Monoisotopic Mass:
124.027g/mol
Topological Polar Surface Area:
63.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
116
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


NMR Spectrum


Other Analytical Data


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