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Specification
The molecular formula is C10H11ClO3.
The molecular weight is 214.64 g/mol.
The IUPAC name is 2-(3-chlorophenoxy)-2-methylpropanoic acid.
The InChI is InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-4-7(11)6-8/h3-6H,1-2H3,(H,12,13).
The InChIKey is PZBIVIXQLIVFHJ-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C(=O)O)OC1=CC(=CC=C1)Cl.
The CAS number is 17413-73-9.
The European Community (EC) number is 808-702-6.
The DSSTox Substance ID is DTXSID00169767.
Yes, 2-(3-Chlorophenoxy)-2-methylpropanoic acid is a canonicalized compound.