913835-92-4 Purity
98%
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The molecular formula is C6H8BNO4S.
The molecular weight is 201.01 g/mol.
The IUPAC name is (5-methylsulfonylpyridin-3-yl)boronic acid.
The InChI is InChI=1S/C6H8BNO4S/c1-13(11,12)6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3.
The InChIKey is YGXNPQDXWDCWET-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=CN=C1)S(=O)(=O)C)(O)O.
The CAS number is 913836-01-8.
The EC number is 685-589-8.
The DSSTox Substance ID is DTXSID50657189.
Yes, it is a canonicalized compound according to PubChem.
Reference: [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2009/147187, 2009, A1
Location in patent: Page/Page column 154-155
* For details of the synthesis route, please refer to the original source to ensure accuracy.