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1562-34-1 | Ethenesulfonic acid, phenyl ester
CAS No: 1562-34-1 Catalog No: AG001OLH MDL No:MFCD00012206
Product Description
Catalog Number:
AG001OLH
Chemical Name:
Ethenesulfonic acid, phenyl ester
CAS Number:
1562-34-1
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
MDL Number:
MFCD00012206
IUPAC Name:
phenyl ethenesulfonate
InChI:
InChI=1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2
InChI Key:
CILDJVVXNMDAGY-UHFFFAOYSA-N
SMILES:
C=CS(=O)(=O)Oc1ccccc1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.209g/mol
Monoisotopic Mass:
184.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Aryl vinyl sulfonates and sulfones as active site-directed and mechanism-based probes for protein tyrosine phosphatases. | Journal of the American Chemical Society 20080702 |
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