3-Pyridinecarboxylic acid, 1,6-dihydro-4-hydroxy-6-oxo-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 1,6-dihydro-4-hydroxy-6-oxo-, methyl ester
CAS Number: 79398-27-9
Product Number: AG005210(AGN-PC-0ABI29)
Synonyms:
MDL No: MFCD09152693
Molecular Formula: C7H7NO4
Molecular Weight: 169.1348

Identification/Properties


Properties
MP:
252-255 °C
BP:
325.9°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
169.136g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
169.038g/mol
Monoisotopic Mass:
169.038g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
290
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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