CAS Registry Number: 39695-71-1

Name:

2,​1-​Benzisoxazole-​5-​carboxylic acid, 3-​phenyl-

Chemical Formula: C14H9NO3
Exact Mass: 239.06
Molecular Weight: 239.23
m/z: 239.06 (100.0%), 240.06 (15.7%), 241.06 (1.7%)

InChI: InChI=1S/C14H9NO3/c16-14(17)10-6-7-12-11(8-10)13(18-15-12)9-4-2-1-3-5-9/h1-8H,(H,16,17)
InChIKey: GEBDBXYYQHUKAU-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)O

Specification

98%

(1) Safaei-Ghomi, Javad; Turkish Journal of Chemistry 2007, V31(1), P89-95 CAPLUS