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Home > Imidazoles > 97345-90-9
97345-90-9 | 1,3-dimethylimidazol-1-ium;methyl sulfate
CAS No: 97345-90-9 Catalog No: AG00IJXM MDL No:MFCD03453276
Product Description
Catalog Number:
AG00IJXM
Chemical Name:
1,3-dimethylimidazol-1-ium;methyl sulfate
CAS Number:
97345-90-9
Molecular Formula:
C6H12N2O4S
Molecular Weight:
208.2355
MDL Number:
MFCD03453276
IUPAC Name:
1,3-dimethylimidazol-1-ium;methyl sulfate
InChI:
InChI=1S/C5H9N2.CH4O4S/c1-6-3-4-7(2)5-6;1-5-6(2,3)4/h3-5H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
WOKQGMYCUGJNIJ-UHFFFAOYSA-M
SMILES:
Cn1cc[n+](c1)C.COS(=O)(=O)[O-]
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.232g/mol
Monoisotopic Mass:
208.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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