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26591-72-0 | 1H-Imidazolium, 3-ethenyl-1-methyl-, methyl sulfate (1:1)
CAS No: 26591-72-0 Catalog No: AG002TTB MDL No:
Product Description
Catalog Number:
AG002TTB
Chemical Name:
1H-Imidazolium, 3-ethenyl-1-methyl-, methyl sulfate (1:1)
CAS Number:
26591-72-0
Molecular Formula:
C7H12N2O4S
Molecular Weight:
220.2462
IUPAC Name:
1-ethenyl-3-methylimidazol-3-ium;methyl sulfate
InChI:
InChI=1S/C6H9N2.CH4O4S/c1-3-8-5-4-7(2)6-8;1-5-6(2,3)4/h3-6H,1H2,2H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
BZVFPIHTRLNAQA-UHFFFAOYSA-M
SMILES:
COS(=O)(=O)[O-].C=Cn1cc[n+](c1)C
EC Number:
247-832-2
UNII:
TQT64OP87E
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.052g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.243g/mol
Monoisotopic Mass:
220.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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