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The IUPAC name of the compound is (4-methylsulfonylphenyl)boronic acid.
The molecular formula of the compound is C7H9BO4S.
The molecular weight of the compound is 200.02 g/mol.
The InChI of the compound is InChI=1S/C7H9BO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3.
The InChIKey of the compound is VDUKDQTYMWUSAC-UHFFFAOYSA-N.
The canonical SMILES of the compound is B(C1=CC=C(C=C1)S(=O)(=O)C)(O)O.
The CAS number of the compound is 149104-88-1.
The European Community (EC) Number of the compound is 677-559-8.
The ChEMBL ID of the compound is CHEMBL4084348.
Yes, the compound is canonicalized.
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