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52693-60-4 | 3-methanesulfonyl-1-methylpyridin-1-ium iodide
CAS No: 52693-60-4 Catalog No: AG00KTP8 MDL No:MFCD05742376
Product Description
Catalog Number:
AG00KTP8
Chemical Name:
3-methanesulfonyl-1-methylpyridin-1-ium iodide
CAS Number:
52693-60-4
Molecular Formula:
C7H10INO2S
Molecular Weight:
299.1293
MDL Number:
MFCD05742376
IUPAC Name:
1-methyl-3-methylsulfonylpyridin-1-ium;iodide
InChI:
InChI=1S/C7H10NO2S.HI/c1-8-5-3-4-7(6-8)11(2,9)10;/h3-6H,1-2H3;1H/q+1;/p-1
InChI Key:
BBJBWCVNUFUIIT-UHFFFAOYSA-M
SMILES:
C[n+]1cccc(c1)S(=O)(=O)C.[I-]
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.948g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.126g/mol
Monoisotopic Mass:
298.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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