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Home > Pyridines > 143969-70-4
143969-70-4 | 4,4'-Bipyridinium, 1,1'-bis(3-phosphonopropyl)-
CAS No: 143969-70-4 Catalog No: AG001IO9 MDL No:
Product Description
Catalog Number:
AG001IO9
Chemical Name:
4,4'-Bipyridinium, 1,1'-bis(3-phosphonopropyl)-
CAS Number:
143969-70-4
Molecular Formula:
C16H24N2O6P2++
Molecular Weight:
402.3191
IUPAC Name:
3-[4-[1-(3-phosphonopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propylphosphonic acid
InChI:
InChI=1S/C16H22N2O6P2/c19-25(20,21)13-1-7-17-9-3-15(4-10-17)16-5-11-18(12-6-16)8-2-14-26(22,23)24/h3-6,9-12H,1-2,7-8,13-14H2,(H2-2,19,20,21,22,23,24)/p+2
InChI Key:
RPVVZQHZIWYKBZ-UHFFFAOYSA-P
SMILES:
OP(=O)(CCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCP(=O)(O)O)O
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.111g/mol
Formal Charge:
2
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
402.324g/mol
Monoisotopic Mass:
402.111g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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