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CAS 1375064-45-1

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5-(4-Cyanophenyl)-3-isoxazolecarboxylic acid

Description:
5-(4-Cyanophenyl)-3-isoxazolecarboxylic acid is an organic compound characterized by its isoxazole ring, which is a five-membered heterocyclic structure containing both nitrogen and oxygen. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity in various chemical reactions. The presence of the 4-cyanophenyl group indicates that it has a phenyl ring substituted with a cyano group, which enhances its electronic properties and may influence its interactions in biological systems. The isoxazole moiety is known for its applications in pharmaceuticals and agrochemicals, often exhibiting biological activity. The compound's solubility, stability, and reactivity can be influenced by the functional groups present, making it a candidate for further research in medicinal chemistry. Its specific properties, such as melting point, boiling point, and spectral characteristics, would typically be determined through experimental methods or detailed literature studies. Overall, this compound represents a class of heterocyclic compounds with potential applications in various fields, including drug development and material science.
Formula:C11H6N2O3
InChI:InChI=1S/C11H6N2O3/c12-6-7-1-3-8(4-2-7)10-5-9(11(14)15)13-16-10/h1-5H,(H,14,15)
InChI key:InChIKey=PDHRXDLHPHLFEX-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C=C(ON1)C2=CC=C(C#N)C=C2
Synonyms:
  • 3-Isoxazolecarboxylic acid, 5-(4-cyanophenyl)-
  • 5-(4-Cyanophenyl)-3-isoxazolecarboxylic acid
  • 5-(4-Cyanophenyl)isoxazole-3-carboxylic acid
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