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CAS Number: 90607-21-9
5-(tert-butyl)isoxazole-3-carboxylic acid

Structure

 5-(tert-butyl)isoxazole-3-carboxylic acid
Name: 5-(tert-butyl)isoxazole-3-carboxylic acid
Synonyms:
General Information
Product Number: 90607219

CAS Registry Number 90607-21-9
Name:
3-?Isoxazolecarboxylic acid, 5-?(1,?1-?dimethylethyl)?-
3-Isoxazolecarboxylic acid, 5-tert-butyl- (7CI)
5-tert-Butylisoxazole-3-carboxylic acid

 

Chemical Formula: C8H11NO3
Exact Mass: 169.07
Molecular Weight: 169.18
m/z: 169.07 (100.0%), 170.08 (8.9%)

 

InChI:InChI=1S/C8H11NO3/c1-8(2,3)6-4-5(7(10)11)9-12-6/h4H,1-3H3,(H,10,11)

InChI Key:GBFOGDDBEDQGJW-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)C1=CC(=NO1)C(=O)O

Specification

98%
References

PCT Int. Appl. (2014), WO 2014210255 A1 20141231. 

PCT Int. Appl. (2015), WO 2015089337 A1 20150618.                                 
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