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Home > Imidazoles > 591754-11-9
591754-11-9 | Pyridine, 3-(1H-imidazol-2-yl)-, 1-oxide
CAS No: 591754-11-9 Catalog No: AG00F2VE MDL No:
Product Description
Catalog Number:
AG00F2VE
Chemical Name:
Pyridine, 3-(1H-imidazol-2-yl)-, 1-oxide
CAS Number:
591754-11-9
IUPAC Name:
3-(1H-imidazol-2-yl)-1-oxidopyridin-1-ium
InChI:
InChI=1S/C8H7N3O/c12-11-5-1-2-7(6-11)8-9-3-4-10-8/h1-6H,(H,9,10)
InChI Key:
UGNRHJTWTVGIKX-UHFFFAOYSA-N
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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