Pyridinol, 1-oxide


Chemical Name: Pyridinol, 1-oxide
CAS Number: 13161-30-3
Product Number: AG000ZIF(AGN-PC-0O107W)
Synonyms:
MDL No: MFCD00006195
Molecular Formula: C5H5NO2
Molecular Weight: 111.0987

Identification/Properties


Computed Properties
Molecular Weight:
111.1g/mol
XLogP3:
-0.7
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:
40.5A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
160
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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