CAS 7614-53-1

1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt

Description:

1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt, identified by CAS number 7614-53-1, is a heterocyclic organic compound featuring an oxadiazole ring, which is a five-membered ring containing two nitrogen atoms and three carbon atoms. This compound exhibits both acidic and basic properties due to the presence of a carboxylic acid group and a hydroxyl group, making it a zwitterionic species in its inner salt form. The carboxyphenyl substituent contributes to its potential for hydrogen bonding and interactions with other molecules, enhancing its solubility in polar solvents. The hydroxyl group can participate in various chemical reactions, including esterification and oxidation. This compound may have applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis due to its unique structural features and reactivity. Its stability, solubility, and reactivity can be influenced by environmental factors such as pH and temperature, making it a subject of interest in both academic and industrial research.

Formula: C₉H₆N₂O₄

InChI: InChI=1S/C9H6N2O4/c12-8-5-11(10-15-8)7-3-1-6(2-4-7)9(13)14/h1-5H,(H-,10,12,13,14)

InChI key: InChIKey=HLNFBKDFNKWLSO-UHFFFAOYSA-N

SMILES: OC1=C[N+](C2=CC=C(C([O-])=O)C=C2)=NO1

Synonyms:

• Sydnone, 3-(p-carboxyphenyl)-
• N-(p-Carboxyphenyl)sydnone
• 3-(4-Carboxyphenyl)sydnone
• 1,2,3-Oxadiazolium, 3-(4-carboxyphenyl)-5-hydroxy-, inner salt
• Sydnone, 3-(4-carboxyphenyl)-