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CAS 845616-02-6

:

2-(1-Methylethoxy)-5-(methylsulfonyl)benzoic acid

Description:
2-(1-Methylethoxy)-5-(methylsulfonyl)benzoic acid, identified by its CAS number 845616-02-6, is a chemical compound that belongs to the class of benzoic acids. This substance features a benzoic acid core substituted with a methylethoxy group and a methylsulfonyl group, which contribute to its unique chemical properties. The presence of the methylethoxy group enhances its hydrophobic characteristics, while the methylsulfonyl group can impart polar characteristics, influencing its solubility and reactivity. This compound may exhibit biological activity, potentially serving as a pharmaceutical intermediate or active ingredient, although specific biological properties would depend on further studies. Its molecular structure suggests it could participate in various chemical reactions, including esterification and sulfonation. Additionally, the compound's stability, melting point, and solubility in different solvents would be essential for its practical applications in research and industry. As with any chemical, proper handling and safety measures should be observed due to potential hazards associated with its use.
Formula:C11H14O5S
InChI:InChI=1S/C11H14O5S/c1-7(2)16-10-5-4-8(17(3,14)15)6-9(10)11(12)13/h4-7H,1-3H3,(H,12,13)
InChI key:InChIKey=NWXBHCBBFZOTOQ-UHFFFAOYSA-N
SMILES:O(C(C)C)C1=C(C(O)=O)C=C(S(C)(=O)=O)C=C1
Synonyms:
  • 2-(1-Methylethoxy)-5-(methylsulfonyl)benzoic acid
  • 2-Isopropoxy-5-methylsulfonylbenzoic acid
  • Benzoic acid, 2-(1-methylethoxy)-5-(methylsulfonyl)-
  • 2-Isopropoxy-5-(methanesulfonyl)benzoic acid
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