CAS Registry Number: 642-91-1

Name:

2,​1-​Benzisoxazole-​3-​carboxylic acid
Anthroxanic acid; Benzo[c]​isoxazole-​3-​carboxylic acid; NSC 86917 

Chemical Formula: C8H5NO3
Exact Mass: 163.03
Molecular Weight: 163.13
m/z: 163.03 (100.0%), 164.03 (8.8%)

InChI: InChI=1S/C8H5NO3/c10-8(11)7-5-3-1-2-4-6(5)9-12-7/h1-4H,(H,10,11)
InChIKey: PHYDLUSJJFZNFG-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(ON=C2C=C1)C(=O)O

Specification

98%

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3. (3) Arndt, Fritz; Chemische Berichte 1953, V86, P957-64 CAPLUS
4. (4) Alessandri, L.; Gazzetta Chimica Italiana 1927, V57, P195-223 CAPLUS
5. (5) Grob, C. A.; Helvetica Chimica Acta 1961, V44, P1748-53 CAPLUS