6-oxo-1H-pyrimidine-5-carboxylic acid


Chemical Name: 6-oxo-1H-pyrimidine-5-carboxylic acid
CAS Number: 65754-04-3
Product Number: AG00FC5I(AGN-PC-003WQV)
Synonyms:
MDL No:
Molecular Formula: C5H4N2O3
Molecular Weight: 140.0969

Identification/Properties


Computed Properties
Molecular Weight:
140.098g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
140.022g/mol
Monoisotopic Mass:
140.022g/mol
Topological Polar Surface Area:
78.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
241
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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