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The molecular formula is C12H12O3.
The molecular weight is 204.22 g/mol.
It was created on May 28, 2009.
It was last modified on November 25, 2023.
The IUPAC name is 3-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid.
The InChI code is InChI=1S/C12H12O3/c1-12(2,15)7-6-9-4-3-5-10(8-9)11(13)14/h3-5,8,15H,1-2H3,(H,13,14).
The InChIKey is VKXLALQKRXWOJK-UHFFFAOYSA-N.
The canonical SMILES representation is CC(C)(C#CC1=CC(=CC=C1)C(=O)O).
The CAS number is 878742-28-0.
The XLogP3 value is 2.1.
402-44-8
66793-96-2
60-12-8
13398-94-2
88-26-6
89-95-2
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