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Home > Pyridines > 117330-44-6
117330-44-6 | 2,2'-Bipyridine, 4,4'-bis(4-methoxyphenyl)-6,6'-dimethyl-, 1,1'-dioxide
CAS No: 117330-44-6 Catalog No: AG000E53 MDL No:
Product Description
Catalog Number:
AG000E53
Chemical Name:
2,2'-Bipyridine, 4,4'-bis(4-methoxyphenyl)-6,6'-dimethyl-, 1,1'-dioxide
CAS Number:
117330-44-6
Molecular Formula:
C26H24N2O4
Molecular Weight:
428.4798
IUPAC Name:
4-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-6-methyl-1-oxidopyridin-2-ylidene]-6-methylpyridin-1-ium 1-oxide
InChI:
InChI=1S/C26H24N2O4/c1-17-13-21(19-5-9-23(31-3)10-6-19)15-25(27(17)29)26-16-22(14-18(2)28(26)30)20-7-11-24(32-4)12-8-20/h5-16H,1-4H3
InChI Key:
COORGQXHXSOIQE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(C)[n+](c(c1)c1cc(cc([n+]1[O-])C)c1ccc(cc1)OC)[O-]
Properties
Complexity:
823
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.174g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.488g/mol
Monoisotopic Mass:
428.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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