4-Pyrimidinecarboxylicacid, 2-methyl-


Chemical Name: 4-Pyrimidinecarboxylicacid, 2-methyl-
CAS Number: 13627-49-1
Product Number: AG007MO9(AGN-PC-01ZM9Z)
Synonyms:
MDL No:
Molecular Formula: C6H6N2O2
Molecular Weight: 138.1240

Identification/Properties


Computed Properties
Molecular Weight:
138.126g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
138.043g/mol
Monoisotopic Mass:
138.043g/mol
Topological Polar Surface Area:
63.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
138
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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