CAS
90533-07-6 Purity
96%
90533-07-6 Purity
96%
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The molecular formula is C9H10O4S.
The molecular weight is 214.24 g/mol.
The IUPAC name is 2-(4-methylsulfonylphenyl)acetic acid.
The InChI is InChI=1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11).
The InChIKey is HGGWOSYNRVOQJH-UHFFFAOYSA-N.
The canonical SMILES is CS(=O)(=O)C1=CC=C(C=C1)CC(=O)O.
The CAS number is 90536-66-6.
The UNII is C39I2W89XI.
Yes, it is a canonicalized compound according to PubChem.