2-propan-2-ylpyrimidine-4-carboxylic acid


Chemical Name: 2-propan-2-ylpyrimidine-4-carboxylic acid
CAS Number: 1060817-57-3
Product Number: AG007VWC(AGN-PC-05BJ2B)
Synonyms:
MDL No:
Molecular Formula: C8H10N2O2
Molecular Weight: 166.1772

Identification/Properties


Computed Properties
Molecular Weight:
166.18g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
166.074g/mol
Monoisotopic Mass:
166.074g/mol
Topological Polar Surface Area:
63.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
170
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


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