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136997-71-2 | Pyridinium, 1-[(dimethylamino)carbonyl]-4-(2-sulfoethyl)-, inner salt
CAS No: 136997-71-2 Catalog No: AG0012NJ MDL No:MFCD00185917
Product Description
Catalog Number:
AG0012NJ
Chemical Name:
Pyridinium, 1-[(dimethylamino)carbonyl]-4-(2-sulfoethyl)-, inner salt
CAS Number:
136997-71-2
MDL Number:
MFCD00185917
IUPAC Name:
2-[1-(dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonate
InChI:
InChI=1S/C10H14N2O4S/c1-11(2)10(13)12-6-3-9(4-7-12)5-8-17(14,15)16/h3-4,6-7H,5,8H2,1-2H3
InChI Key:
SJHHXGGXZKPIDE-UHFFFAOYSA-N
EC Number:
418-440-0
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.292g/mol
Monoisotopic Mass:
258.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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