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16722-51-3 | Benzenesulfonic acid, 4-methyl-, ion(1-)
CAS No: 16722-51-3 Catalog No: AG001X87 MDL No:
Product Description
Catalog Number:
AG001X87
Chemical Name:
Benzenesulfonic acid, 4-methyl-, ion(1-)
CAS Number:
16722-51-3
IUPAC Name:
4-methylbenzenesulfonate
InChI:
InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1
InChI Key:
JOXIMZWYDAKGHI-UHFFFAOYSA-M
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.012g/mol
Formal Charge:
-1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.19g/mol
Monoisotopic Mass:
171.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
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| Raman spectroscopy of benzenesulfonic and 4-toluenesulfonic acids dissolved in dimethylsulfoxide. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20040601 |
| Solid-phase synthesis of a library of hydroxyproline derivatives. | Journal of combinatorial chemistry 20040101 |
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| Modification of the swern oxidation: use of a recyclable, polystyrene bound sulfoxide. | Bioorganic & medicinal chemistry letters 20020722 |
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| 4-Toluene sulfonate methyl-monooxygenase from Comamonas testosteroni T-2: purification and some properties of the oxygenase component. | Journal of bacteriology 19910601 |
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