2-cyanopyrimidine-5-carboxylic acid


Chemical Name: 2-cyanopyrimidine-5-carboxylic acid
CAS Number: 1115962-72-5
Product Number: AG0095VO(AGN-PC-0H1T5S)
Synonyms:
MDL No: MFCD12755887
Molecular Formula: C6H3N3O2
Molecular Weight: 149.1069

Identification/Properties


Computed Properties
Molecular Weight:
149.11g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
149.022526g/mol
Monoisotopic Mass:
149.022526g/mol
Topological Polar Surface Area:
86.9Ų
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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