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Home > Imidazoles > 586964-47-8
586964-47-8 | Pyridine, 2-[(1-hydroxy-4,5-dimethyl-3-oxido-1H-imidazol-2-yl)methyl]- (9CI)
CAS No: 586964-47-8 Catalog No: AG00F2PJ MDL No:
Product Description
Catalog Number:
AG00F2PJ
Chemical Name:
Pyridine, 2-[(1-hydroxy-4,5-dimethyl-3-oxido-1H-imidazol-2-yl)methyl]- (9CI)
CAS Number:
586964-47-8
IUPAC Name:
2-[(1-hydroxy-4,5-dimethyl-3-oxidoimidazol-3-ium-2-yl)methyl]pyridine
InChI:
InChI=1S/C11H13N3O2/c1-8-9(2)14(16)11(13(8)15)7-10-5-3-4-6-12-10/h3-6,15H,7H2,1-2H3
InChI Key:
XCKRRGMGVMWAEN-UHFFFAOYSA-N
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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