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Home > Imidazoles > 63458-90-2
63458-90-2 | 1-METHYLIMIDAZOLIUM P-TOLUENESULFONATE
CAS No: 63458-90-2 Catalog No: AG00ECZX MDL No:
Product Description
Catalog Number:
AG00ECZX
Chemical Name:
1-METHYLIMIDAZOLIUM P-TOLUENESULFONATE
CAS Number:
63458-90-2
IUPAC Name:
4-methylbenzenesulfonate;3-methyl-1H-imidazol-3-ium
InChI:
InChI=1S/C7H8O3S.C4H6N2/c1-6-2-4-7(5-3-6)11(8,9)10;1-6-3-2-5-4-6/h2-5H,1H3,(H,8,9,10);2-4H,1H3
InChI Key:
WLWXEDJMZHONIG-UHFFFAOYSA-N
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.304g/mol
Monoisotopic Mass:
254.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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