3-Pyridinecarboxylic acid, 4,6-dihydroxy-, ethyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 4,6-dihydroxy-, ethyl ester
CAS Number: 6975-44-6
Product Number: AG0033UD(AGN-PC-0OGSTF)
Synonyms:
MDL No:
Molecular Formula: C8H9NO4
Molecular Weight: 183.1614

Identification/Properties


Properties
MP:
214-217 °C
BP:
497.6°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
183.163g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
183.053g/mol
Monoisotopic Mass:
183.053g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
303
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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