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The molecular formula is C12H12O3.
The molecular weight is 204.22 g/mol.
The IUPAC name is 4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid.
The InChI is InChI=1S/C12H12O3/c1-12(2,15)8-7-9-3-5-10(6-4-9)11(13)14/h3-6,15H,1-2H3,(H,13,14).
The InChIKey is JBLUITWCDABZAF-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C#CC1=CC=C(C=C1)C(=O)O).
The CAS number is 63165-02-6.
The DSSTox Substance ID is DTXSID10397973.
The Nikkaji Number is J1.789.190A.
Yes, the compound is canonicalized.
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