4-Pyridineacetic acid, 3-cyano-, methyl ester


Chemical Name: 4-Pyridineacetic acid, 3-cyano-, methyl ester
CAS Number: 124870-33-3
Product Number: AG000MTJ(AGN-PC-09RZRU)
Synonyms:
MDL No:
Molecular Formula: C9H8N2O2
Molecular Weight: 176.1720

Identification/Properties


Computed Properties
Molecular Weight:
176.175g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
176.059g/mol
Monoisotopic Mass:
176.059g/mol
Topological Polar Surface Area:
63A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
231
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


Other Analytical Data


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