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


Chemical Name: 3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-
CAS Number: 609-71-2
Product Number: AG0033CY(AGN-PC-03GBGS)
Synonyms:
MDL No:
Molecular Formula: C6H5NO3
Molecular Weight: 139.1088

Identification/Properties


Properties
MP:
258-261 °C(lit.)
BP:
436°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5423 (estimate)
Solubility:
0.1 M NaOH: 0.1 g/mL, clear
Computed Properties
Molecular Weight:
139.11g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
139.027g/mol
Monoisotopic Mass:
139.027g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
239
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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