5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-, methyl ester


Chemical Name: 5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-, methyl ester
CAS Number: 4774-35-0
Product Number: AG0037TO(AGN-PC-0OANM9)
Synonyms:
MDL No:
Molecular Formula: C6H6N2O3
Molecular Weight: 154.1234

Identification/Properties


Computed Properties
Molecular Weight:
154.125g/mol
XLogP3:
-0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
154.038g/mol
Monoisotopic Mass:
154.038g/mol
Topological Polar Surface Area:
67.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
255
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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