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CAS Number: 28691-47-6
benzo[d]isoxazole-3-carboxylic acid

Structure

benzo[d]isoxazole-3-carboxylic acid
Name: benzo[d]isoxazole-3-carboxylic acid
Synonyms:
General Information
Product Number: 28691476

CAS Registry Number 28691-47-6
Name:
1,?2-?Benzisoxazole-?3-?carboxylic acid
3-Benzo[d]isoxazolecarboxylic acid
3-Carboxy-1,2-benzisoxazole
Benzo[d]isoxazole-3-carboxylic acid

 

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)12-9-7/h1-4H,(H,10,11)

InChI Key:VPYXATIIMHQAPR-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=NO2)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 145-146 °C   (1)IC

Specification

98%

References

(1) Sato, Kozo; JP 61219950 A 1986 CAPLUS

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