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Home > Pyridines > 114822-07-0
114822-07-0 | 4,4'-Bipyridinium, 1-phenyl-1'-propyl-
CAS No: 114822-07-0 Catalog No: AG000FB4 MDL No:
Product Description
Catalog Number:
AG000FB4
Chemical Name:
4,4'-Bipyridinium, 1-phenyl-1'-propyl-
CAS Number:
114822-07-0
Molecular Formula:
C19H20N2++
Molecular Weight:
276.3755
IUPAC Name:
1-phenyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium
InChI:
InChI=1S/C19H20N2/c1-2-12-20-13-8-17(9-14-20)18-10-15-21(16-11-18)19-6-4-3-5-7-19/h3-11,13-16H,2,12H2,1H3/q+2
InChI Key:
HVOXDACPGMWKSN-UHFFFAOYSA-N
SMILES:
CCC[n+]1ccc(cc1)c1cc[n+](cc1)c1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.163g/mol
Formal Charge:
2
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.383g/mol
Monoisotopic Mass:
276.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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