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CAS 878742-28-0

:

3-(3-hydroxy-3-methyl-but-1-ynyl)benzoic acid

Description:
3-(3-Hydroxy-3-methyl-but-1-ynyl)benzoic acid, with the CAS number 878742-28-0, is an organic compound characterized by its unique structure that includes a benzoic acid moiety and a hydroxyalkynyl substituent. This compound features a hydroxyl group (-OH) and a terminal alkyne group (-C≡C-H) attached to a branched carbon chain, which contributes to its reactivity and potential applications in organic synthesis. The presence of the carboxylic acid functional group (-COOH) indicates that it can participate in acid-base reactions and may serve as a precursor for various chemical transformations. Its structural features suggest potential uses in pharmaceuticals, agrochemicals, or as a building block in materials science. Additionally, the compound's solubility and stability can be influenced by the presence of the hydroxyl group and the overall hydrophobic character of the aromatic ring. Overall, this compound's unique functional groups and structural characteristics make it of interest in various fields of chemistry.
Formula:C12H12O3
InChI:InChI=1/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)
SMILES:CC(C)(C#Cc1cccc(c1)C(=O)O)O
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