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Home > Pyridines > 101664-54-4
101664-54-4 | 2,2'-Bipyridine, 3,3',4,4'-tetramethoxy-, 1,1'-dioxide
CAS No: 101664-54-4 Catalog No: AG000547 MDL No:
Product Description
Catalog Number:
AG000547
Chemical Name:
2,2'-Bipyridine, 3,3',4,4'-tetramethoxy-, 1,1'-dioxide
CAS Number:
101664-54-4
Molecular Formula:
C14H16N2O6
Molecular Weight:
308.2866
IUPAC Name:
2-(3,4-dimethoxy-1-oxidopyridin-2-ylidene)-3,4-dimethoxypyridin-1-ium 1-oxide
InChI:
InChI=1S/C14H16N2O6/c1-19-9-5-7-15(17)11(13(9)21-3)12-14(22-4)10(20-2)6-8-16(12)18/h5-8H,1-4H3
InChI Key:
CGTMEXKSLGMFMY-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc[n+](c1c1[n+]([O-])ccc(c1OC)OC)[O-]
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.29g/mol
Monoisotopic Mass:
308.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.6
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