5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-2-phenyl-, ethyl ester


Chemical Name: 5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-2-phenyl-, ethyl ester
CAS Number: 55613-22-4
Product Number: AG00D875(AGN-PC-0OC8PR)
Synonyms:
MDL No:
Molecular Formula: C13H12N2O3
Molecular Weight: 244.2460

Identification/Properties


Properties
MP:
209-212°
BP:
309.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
244.25g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
244.085g/mol
Monoisotopic Mass:
244.085g/mol
Topological Polar Surface Area:
67.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
407
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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