4-Pyridinecarboxylic acid, 1-oxide


Chemical Name: 4-Pyridinecarboxylic acid, 1-oxide
CAS Number: 13602-12-5
Product Number: AG003U2L(AGN-PC-00GQTO)
Synonyms:
MDL No:
Molecular Formula: C6H5NO3
Molecular Weight: 139.1088

Identification/Properties


Properties
MP:
270-271 °C(lit.)
BP:
255.04°C (rough estimate)
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.5423 (estimate)
Computed Properties
Molecular Weight:
139.11g/mol
XLogP3:
-0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
139.027g/mol
Monoisotopic Mass:
139.027g/mol
Topological Polar Surface Area:
62.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
129
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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