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649554-97-2

649554-97-2 | 4,4'-Bipyridinium, 1-dodecyl-1'-methyl-, methylphosphonate (1:2)

CAS No: 649554-97-2 Catalog No: AG00H7ON MDL No:

Product Description

Catalog Number:
AG00H7ON
Chemical Name:
4,4'-Bipyridinium, 1-dodecyl-1'-methyl-, methylphosphonate (1:2)
CAS Number:
649554-97-2
Molecular Formula:
C25H44N2O6P2
Molecular Weight:
530.5742
IUPAC Name:
1-dodecyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;methyl-dioxido-oxo-λ5-phosphane;methylphosphonic acid
InChI:
InChI=1S/C23H36N2.2CH5O3P/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*1-5(2,3)4/h13-16,18-21H,3-12,17H2,1-2H3;2*1H3,(H2,2,3,4)/q+2;;/p-2
InChI Key:
XMCSPNPEMSJMNC-UHFFFAOYSA-L
SMILES:
CP(=O)(O)O.[O-]P(=O)(C)[O-].CCCCCCCCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)C

Properties

Complexity:
412  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.267g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
530.583g/mol
Monoisotopic Mass:
530.267g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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