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56405-61-9 | 2-methyl-1-(3-sulphonatopropyl)pyridinium
CAS No: 56405-61-9 Catalog No: AG00F03M MDL No:
Product Description
Catalog Number:
AG00F03M
Chemical Name:
2-methyl-1-(3-sulphonatopropyl)pyridinium
CAS Number:
56405-61-9
IUPAC Name:
3-(2-methylpyridin-1-ium-1-yl)propane-1-sulfonate
InChI:
InChI=1S/C9H13NO3S/c1-9-5-2-3-6-10(9)7-4-8-14(11,12)13/h2-3,5-6H,4,7-8H2,1H3
InChI Key:
MTCXCYYDFLRQJM-UHFFFAOYSA-N
EC Number:
260-158-3
NSC Number:
158034
Properties
Complexity:
244
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:
0.5
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