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6613-64-5 | 1-(3-Sulfopropyl)-2-vinylpyridinium betaine
CAS No: 6613-64-5 Catalog No: AG0032IP MDL No:MFCD00080643
Product Description
Catalog Number:
AG0032IP
Chemical Name:
1-(3-Sulfopropyl)-2-vinylpyridinium betaine
CAS Number:
6613-64-5
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
MDL Number:
MFCD00080643
IUPAC Name:
3-(2-ethenylpyridin-1-ium-1-yl)propane-1-sulfonate
InChI:
InChI=1S/C10H13NO3S/c1-2-10-6-3-4-7-11(10)8-5-9-15(12,13)14/h2-4,6-7H,1,5,8-9H2
InChI Key:
DNHDSWZXBHTLDP-UHFFFAOYSA-N
SMILES:
C=Cc1cccc[n+]1CCCS(=O)(=O)[O-]
EC Number:
229-565-3
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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