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Home > Imidazoles > 926905-78-4
926905-78-4 | 1H-Imidazolium, 1-methyl-3-(3-sulfopropyl)-, 4-methylbenzenesulfonate(1:1)
CAS No: 926905-78-4 Catalog No: AG0036Q9 MDL No:
Product Description
Catalog Number:
AG0036Q9
Chemical Name:
1H-Imidazolium, 1-methyl-3-(3-sulfopropyl)-, 4-methylbenzenesulfonate(1:1)
CAS Number:
926905-78-4
Molecular Formula:
C14H22N2O6S2
Molecular Weight:
378.4643
IUPAC Name:
4-methylbenzenesulfonate;3-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)propane-1-sulfonic acid
InChI:
InChI=1S/C7H14N2O3S.C7H8O3S/c1-8-4-5-9(7-8)3-2-6-13(10,11)12;1-6-2-4-7(5-3-6)11(8,9)10/h4-5H,2-3,6-7H2,1H3,(H,10,11,12);2-5H,1H3,(H,8,9,10)
InChI Key:
KPJCNLGGJOQSOX-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)CCCN1C=C[NH+](C1)C.Cc1ccc(cc1)S(=O)(=O)[O-]
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.092g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.458g/mol
Monoisotopic Mass:
378.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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