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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 22831706Generated: October 24, 2026

5-(p-Tolyl)isoxazole-4-carboxylic acid

5-p-Tolylisoxazole-4-carboxylic acid · 4-Isoxazolecarboxylic acid, 5-(4-methylphenyl)- · 5-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid · JR-14137, 5-p-Tolylisoxazole-4-carboxylic acid, 97%

https://huagongshe.com/en/chemical/22831706

5-(p-Tolyl)isoxazole-4-carboxylic acid molecular structure

Identifiers & Physical Properties

CAS No.887408-19-7
Molecular formulaC11H9NO3
Average molar mass203.19 g/mol
SMILESCc1ccc(-c2oncc2C(=O)O)cc1
InChIKeyNLFMOVWMUZZROZ-UHFFFAOYSA-N
PubChem CID22831706
EC No.193-592-6

Chemical & Physical Properties

XLogP1.9
Topological polar surface area63.3
Hydrogen bond donors1
Hydrogen bond acceptors4
Rotatable bonds2
Heavy atoms15
Formal charge0
Complexity236
Physical statesolid
InChI1S/C11H9NO3/c1-7-2-4-8(5-3-7)10-9(11(13)14)6-12-15-10/h2-6H,1H3,(H,13,14)
InChIKeyNLFMOVWMUZZROZ-UHFFFAOYSA-N
SMILESO=C(O)C1=C(C2=CC=C(C)C=C2)ON=C1
UNSPSC Code12352106
NACRESNA.21
Water hazard class (WGK)WGK 3
Storage class11 - Combustible Solids

Safety & Regulations

Water hazard class (WGK)WGK 3
Storage class11 - Combustible Solids