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CAS 915707-45-8

:

3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acid

Description:
3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acid is a chemical compound characterized by its unique structure, which includes a benzoic acid moiety and a 3-methyl-1,2,4-oxadiazole ring. This compound typically exhibits properties such as moderate solubility in polar solvents due to the presence of the carboxylic acid functional group, which can engage in hydrogen bonding. The oxadiazole ring contributes to its potential biological activity, as heterocycles often play significant roles in medicinal chemistry. The compound may display various reactivity patterns, including acid-base behavior due to the carboxylic acid group, and it may participate in nucleophilic substitution reactions owing to the electron-withdrawing nature of the oxadiazole. Additionally, its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis. The specific characteristics, such as melting point, boiling point, and spectral data, would require experimental determination or reference to detailed chemical databases for precise values.
Formula:C10H8N2O3
InChI:InChI=1S/C10H8N2O3/c1-6-11-9(15-12-6)7-3-2-4-8(5-7)10(13)14/h2-5H,1H3,(H,13,14)
InChI key:InChIKey=QDXOPMMHYKGSJG-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C=C(C=CC1)C=2ON=C(C)N2
Synonyms:
  • 3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acid
  • Benzoic acid, 3-(3-methyl-1,2,4-oxadiazol-5-yl)-
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