Home Other Building Blocks 4,4'-DIMETHYL-2,2'-BIPYRIDINE 1-OXIDE

4,4'-DIMETHYL-2,2'-BIPYRIDINE 1-OXIDE

CAS No.:
81998-03-0
Catalog Number:
AG005EPO
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
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Product Description
Catalog Number:
AG005EPO
Chemical Name:
4,4'-DIMETHYL-2,2'-BIPYRIDINE 1-OXIDE
CAS Number:
81998-03-0
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD11042487
IUPAC Name:
4-methyl-2-(4-methylpyridin-2-yl)-1-oxidopyridin-1-ium
InChI:
InChI=1S/C12H12N2O/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15/h3-8H,1-2H3
InChI Key:
VNSKKRAUVGCMPH-UHFFFAOYSA-N
SMILES:
Cc1cc[n+](c(c1)c1nccc(c1)C)[O-]
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties