3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester
CAS Number: 10128-91-3
Product Number: AG00044M(AGN-PC-0JT7LC)
Synonyms:
MDL No:
Molecular Formula: C7H7NO3
Molecular Weight: 153.1354

Identification/Properties


Computed Properties
Molecular Weight:
153.137g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
153.043g/mol
Monoisotopic Mass:
153.043g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
252
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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