5-Pyrimidinecarboxylic acid, ethyl ester


Chemical Name: 5-Pyrimidinecarboxylic acid, ethyl ester
CAS Number: 40929-50-8
Product Number: AG003QCY(AGN-PC-0L7HR0)
Synonyms:
MDL No: MFCD03094043
Molecular Formula: C7H8N2O2
Molecular Weight: 152.1506

Identification/Properties


Properties
MP:
16℃
BP:
240.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.495(lit.)
Computed Properties
Molecular Weight:
152.153g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
152.059g/mol
Monoisotopic Mass:
152.059g/mol
Topological Polar Surface Area:
52.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
132
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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