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Home > Pyridines > 144900-66-3
144900-66-3 | 2,2'-Bipyridine, 5,5'-dimethyl-, 1,1'-dioxide
CAS No: 144900-66-3 Catalog No: AG001KC2 MDL No:
Product Description
Catalog Number:
AG001KC2
Chemical Name:
2,2'-Bipyridine, 5,5'-dimethyl-, 1,1'-dioxide
CAS Number:
144900-66-3
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
5-methyl-2-(5-methyl-1-oxidopyridin-2-ylidene)pyridin-1-ium 1-oxide
InChI:
InChI=1S/C12H12N2O2/c1-9-3-5-11(13(15)7-9)12-6-4-10(2)8-14(12)16/h3-8H,1-2H3
InChI Key:
HHVSSOZNWJKVJI-UHFFFAOYSA-N
SMILES:
Cc1ccc([n+](c1)[O-])c1ccc(c[n+]1[O-])C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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