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77951-49-6 | N,N'-dipropyl-4,4'-bipyridinium sulfonate
CAS No: 77951-49-6 Catalog No: AG00GGVK MDL No:
Product Description
Catalog Number:
AG00GGVK
Chemical Name:
N,N'-dipropyl-4,4'-bipyridinium sulfonate
CAS Number:
77951-49-6
IUPAC Name:
3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propane-1-sulfonate
InChI:
InChI=1S/C16H20N2O6S2/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
InChI Key:
AHTBJQLOYQLXMD-UHFFFAOYSA-N
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.076g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.464g/mol
Monoisotopic Mass:
400.076g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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