5-​cyano-2-​Pyrimidinecarboxylic acid


Chemical Name: 5-​cyano-2-​Pyrimidinecarboxylic acid
CAS Number: 1200497-85-3
Product Number: AG00HF8L(AGN-PC-0WAKU3)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
149.109g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
149.023g/mol
Monoisotopic Mass:
149.023g/mol
Topological Polar Surface Area:
86.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
199
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


Other Analytical Data


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