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Home > Pyridines > 113919-77-0
113919-77-0 | 4,2':4',4''-Terpyridinium, 1,1''-dimethyl-6'-(1-methylpyridinium-4-yl)- (9CI)
CAS No: 113919-77-0 Catalog No: AG000A24 MDL No:
Product Description
Catalog Number:
AG000A24
Chemical Name:
4,2':4',4''-Terpyridinium, 1,1''-dimethyl-6'-(1-methylpyridinium-4-yl)- (9CI)
CAS Number:
113919-77-0
Molecular Formula:
C23H24N4++++
Molecular Weight:
356.4635
IUPAC Name:
2,4,6-tris(1-methylpyridin-1-ium-4-yl)pyridin-1-ium
InChI:
InChI=1S/C23H23N4/c1-25-10-4-18(5-11-25)21-16-22(19-6-12-26(2)13-7-19)24-23(17-21)20-8-14-27(3)15-9-20/h4-17H,1-3H3/q+3/p+1
InChI Key:
PKRWWGOEMNJGJV-UHFFFAOYSA-O
SMILES:
C[n+]1ccc(cc1)c1cc([nH+]c(c1)c1cc[n+](cc1)C)c1cc[n+](cc1)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.2g/mol
Formal Charge:
4
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.473g/mol
Monoisotopic Mass:
356.2g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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