3-Pyridinol, 1-oxide


Chemical Name: 3-Pyridinol, 1-oxide
CAS Number: 6602-28-4
Product Number: AG003JW9(AGN-PC-0JKGU4)
Synonyms:
MDL No:
Molecular Formula: C5H5NO2
Molecular Weight: 111.0987

Identification/Properties


Properties
MP:
190-192 °C(lit.)
BP:
208.19°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4260 (estimate)
Computed Properties
Molecular Weight:
111.1g/mol
XLogP3:
-0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
111.032g/mol
Monoisotopic Mass:
111.032g/mol
Topological Polar Surface Area:
45.7A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
76.8
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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