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Home > Pyridines > 649554-95-0
649554-95-0 | 4,4'-Bipyridinium, 1,1'-diethyl-, dodecylphosphonate (1:2)
CAS No: 649554-95-0 Catalog No: AG00H85W MDL No:
Product Description
Catalog Number:
AG00H85W
Chemical Name:
4,4'-Bipyridinium, 1,1'-diethyl-, dodecylphosphonate (1:2)
CAS Number:
649554-95-0
Molecular Formula:
C38H70N2O6P2
Molecular Weight:
712.9197
IUPAC Name:
dodecyl-dioxido-oxo-λ5-phosphane;dodecylphosphonic acid;1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium
InChI:
InChI=1S/C14H18N2.2C12H27O3P/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14;2*1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h5-12H,3-4H2,1-2H3;2*2-12H2,1H3,(H2,13,14,15)/q+2;;/p-2
InChI Key:
NCJCWXUPCBUDTA-UHFFFAOYSA-L
SMILES:
CC[n+]1ccc(cc1)c1cc[n+](cc1)CC.CCCCCCCCCCCCP(=O)(O)O.CCCCCCCCCCCCP(=O)([O-])[O-]
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
712.471g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
712.934g/mol
Monoisotopic Mass:
712.471g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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