CAS 1242268-25-2

3-[(Methylsulfonyl)oxy]benzenepropanoic acid

Description:

3-[(Methylsulfonyl)oxy]benzenepropanoic acid, identified by its CAS number 1242268-25-2, is a chemical compound characterized by the presence of a benzene ring substituted with a methylsulfonyl group and a propanoic acid moiety. This compound typically exhibits properties associated with both aromatic and aliphatic structures, contributing to its potential biological activity. The methylsulfonyl group enhances the solubility and reactivity of the molecule, while the propanoic acid component may impart acidic characteristics. Such compounds are often investigated for their pharmacological properties, including anti-inflammatory and analgesic effects, due to their structural similarity to non-steroidal anti-inflammatory drugs (NSAIDs). The presence of the sulfonyl group can also influence the compound's interaction with biological targets, potentially affecting its efficacy and safety profile. Overall, 3-[(Methylsulfonyl)oxy]benzenepropanoic acid represents a class of compounds that may have significant applications in medicinal chemistry and drug development.

Formula: C₁₀H₁₂O₅S

InChI: InChI=1S/C10H12O5S/c1-16(13,14)15-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)

InChI key: InChIKey=MEKNOMNMKJBSKQ-UHFFFAOYSA-N

SMILES: O(S(C)(=O)=O)C1=CC(CCC(O)=O)=CC=C1

Synonyms:

• Benzenepropanoic acid, 3-[(methylsulfonyl)oxy]-
• 3-[(Methylsulfonyl)oxy]benzenepropanoic acid