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15626-30-9 | Pyridinium, 4-methyl-1-(3-sulfopropyl)-, inner salt
CAS No: 15626-30-9 Catalog No: AG001OMR MDL No:
Product Description
Catalog Number:
AG001OMR
Chemical Name:
Pyridinium, 4-methyl-1-(3-sulfopropyl)-, inner salt
CAS Number:
15626-30-9
IUPAC Name:
3-(4-methylpyridin-1-ium-1-yl)propane-1-sulfonate
InChI:
InChI=1S/C9H13NO3S/c1-9-3-6-10(7-4-9)5-2-8-14(11,12)13/h3-4,6-7H,2,5,8H2,1H3
InChI Key:
MZRTWEBOYWBGCI-UHFFFAOYSA-N
EC Number:
239-702-9
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.267g/mol
Monoisotopic Mass:
215.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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