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Home > Pyridines > 649554-98-3
649554-98-3 | 4,4'-Bipyridinium, 1-dodecyl-1'-methyl-, phenylphosphonate (1:2)
CAS No: 649554-98-3 Catalog No: AG00H7OM MDL No:
Product Description
Catalog Number:
AG00H7OM
Chemical Name:
4,4'-Bipyridinium, 1-dodecyl-1'-methyl-, phenylphosphonate (1:2)
CAS Number:
649554-98-3
Molecular Formula:
C35H48N2O6P2
Molecular Weight:
654.7129
IUPAC Name:
dioxido-oxo-phenyl-λ5-phosphane;1-dodecyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;phenylphosphonic acid
InChI:
InChI=1S/C23H36N2.2C6H7O3P/c1-3-4-5-6-7-8-9-10-11-12-17-25-20-15-23(16-21-25)22-13-18-24(2)19-14-22;2*7-10(8,9)6-4-2-1-3-5-6/h13-16,18-21H,3-12,17H2,1-2H3;2*1-5H,(H2,7,8,9)/q+2;;/p-2
InChI Key:
JLNXHYZQGDUISV-UHFFFAOYSA-L
SMILES:
OP(=O)(c1ccccc1)O.[O-]P(=O)(c1ccccc1)[O-].CCCCCCCCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)C
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
654.299g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
654.725g/mol
Monoisotopic Mass:
654.299g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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