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87752-78-1 | Pyridine, 3-[2-(2,2-dimethoxyethyl)-5-phenyl-1H-imidazol-4-yl]-, 1-oxide
CAS No: 87752-78-1 Catalog No: AG004FLR MDL No:
Product Description
Catalog Number:
AG004FLR
Chemical Name:
Pyridine, 3-[2-(2,2-dimethoxyethyl)-5-phenyl-1H-imidazol-4-yl]-, 1-oxide
CAS Number:
87752-78-1
Molecular Formula:
C18H19N3O3
Molecular Weight:
325.3618
IUPAC Name:
3-[2-(2,2-dimethoxyethyl)-5-phenyl-1H-imidazol-4-yl]-1-oxidopyridin-1-ium
InChI:
InChI=1S/C18H19N3O3/c1-23-16(24-2)11-15-19-17(13-7-4-3-5-8-13)18(20-15)14-9-6-10-21(22)12-14/h3-10,12,16H,11H2,1-2H3,(H,19,20)
InChI Key:
AVYOKCYGOGVACF-UHFFFAOYSA-N
SMILES:
COC(Cc1nc(c([nH]1)c1ccccc1)c1ccc[n+](c1)[O-])OC
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.143g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.368g/mol
Monoisotopic Mass:
325.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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