3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid
Product Specifications
- CAS
- 618383-47-4
- MF
- C11H9NO4
- Appearance
- white solid
- Synonym(s)
- 5-isoxazolecarboxylic acid, 3-(4-methoxyphenyl)-；3-(4-Methoxyphenyl)-1,2-oxazole-5-carboxylic acid
- Shipping
- ambient temperature
- Storage
- 2-8°C
CAS 618383-47-4 identifies 3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid, recorded with molecular formula C11H9NO4 and molecular weight 219.19. The registry number maps to one PubChem entry, CID 1132970. Its verified connectivity is expressed as SMILES COC1=CC=C(C=C1)C2=NOC(=C2)C(=O)O, and InChIKey WEFMAZCRNQZFAY-UHFFFAOYSA-N supplies a compact reference to the same structure.
The central heterocycle is isoxazole, a five-membered aromatic ring with adjacent oxygen and nitrogen atoms. A phenyl group is bonded at isoxazole position 3, and its methoxy substituent is para to that attachment. The carboxylic acid group occupies isoxazole position 5. This arrangement places the four oxygen atoms in three environments: isoxazole oxygen, methoxy oxygen, and the two carboxyl oxygens. The official graph contains no disconnected counterion. Moving either the aryl attachment or acid group to another isoxazole position would define a different connectivity.
To frame a Rlavie inquiry, cite the complete name and CAS 618383-47-4, state the requested quantity, and attach a structure file in MOL or SDF form. The submitted graph can be checked against PubChem CID 1132970, the SMILES, and InChIKey WEFMAZCRNQZFAY-UHFFFAOYSA-N before request-specific details are reviewed. The structure file should preserve the para methoxy position on the phenyl ring as well as the 3-aryl and 5-carboxylic-acid locants on isoxazole. Formula C11H9NO4 by itself cannot communicate those positional relationships, so all identifiers should remain linked in correspondence.