CAS 213598-13-1

4-Methoxy-3-(methylsulfonyl)benzoic acid

Description:

4-Methoxy-3-(methylsulfonyl)benzoic acid, with the CAS number 213598-13-1, is an organic compound characterized by its benzoic acid structure substituted with a methoxy group and a methylsulfonyl group. This compound typically appears as a white to off-white solid and is soluble in polar solvents such as water and methanol, owing to the presence of the carboxylic acid functional group. The methoxy group contributes to its lipophilicity, while the methylsulfonyl group enhances its polarity. This compound may exhibit biological activity, making it of interest in pharmaceutical research, particularly in the development of anti-inflammatory or analgesic agents. Its molecular structure allows for potential interactions with various biological targets, and it may undergo typical reactions associated with carboxylic acids, such as esterification or amidation. Safety data should be consulted for handling and usage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₉H₁₀O₅S

InChI: InChI=1S/C9H10O5S/c1-14-7-4-3-6(9(10)11)5-8(7)15(2,12)13/h3-5H,1-2H3,(H,10,11)

InChI key: InChIKey=WLGCLZOXUFWRFJ-UHFFFAOYSA-N

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

Synonyms:

• 4-Methoxy-3-(methylsulfonyl)benzoic acid
• Benzoic acid, 4-methoxy-3-(methylsulfonyl)-
• 3-Methanesulfonyl-4-methoxybenzoic acid

3-Methanesulfonyl-4-methoxybenzoic acid

CAS: 213598-13-1

Formula: C₉H₁₀O₅S

Molecular weight: 230.2377

Ref: IN-DA003LMJ

3-Methanesulfonyl-4-methoxybenzoic acid

CAS: 213598-13-1

Versatile small molecule scaffold

Formula: C₉H₁₀O₅S

Purity: Min. 95%

Molecular weight: 230.24 g/mol

Ref: 3D-NIA59813