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6602-28-4 | 3-Pyridinol N-oxide
CAS No: 6602-28-4 Catalog No: AG003JW9 MDL No:MFCD00006200
Product Description
Catalog Number:
AG003JW9
Chemical Name:
3-Pyridinol N-oxide
CAS Number:
6602-28-4
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
MDL Number:
MFCD00006200
IUPAC Name:
1-oxidopyridin-1-ium-3-ol
InChI:
InChI=1S/C5H5NO2/c7-5-2-1-3-6(8)4-5/h1-4,7H
InChI Key:
YMEZKRMAPQIBQH-UHFFFAOYSA-N
SMILES:
[O-][n+]1cccc(c1)O
EC Number:
229-545-4
NSC Number:
21399
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.1g/mol
Monoisotopic Mass:
111.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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