3-Pyridinecarboxylic acid, 2-amino-5-cyano-1,6-dihydro-6-oxo-


Chemical Name: 3-Pyridinecarboxylic acid, 2-amino-5-cyano-1,6-dihydro-6-oxo-
CAS Number: 138060-94-3
Product Number: AG01ELKU(AGN-PC-0LWHDS)
Synonyms:
MDL No:
Molecular Formula: C7H5N3O3
Molecular Weight: 179.1329

Identification/Properties


Computed Properties
Molecular Weight:
179.135g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
179.033g/mol
Monoisotopic Mass:
179.033g/mol
Topological Polar Surface Area:
116A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
397
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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