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CAS Number: 1005785-85-2
5-(tert-butyl)picolinic acid

Structure

5-(tert-butyl)picolinic acid
Name: 5-(tert-butyl)picolinic acid
Synonyms:
General Information
Product Number: 1005785852

CAS Registry Number 1005785-85-2
Name:
2-​Pyridinecarboxylic acid, 5-​(1,​1-​dimethylethyl)​-
5-tert-Butylpyridine-2-carboxylic acid

 

Chemical Formula: C10H13NO2
Exact Mass: 179.09
Molecular Weight: 179.22
m/z: 179.09 (100.0%), 180.10 (11.0%), 181.10 (1.0%)

 

InChI:InChI=1S/C10H13NO2/c1-10(2,3)7-4-5-8(9(12)13)11-6-7/h4-6H,1-3H3,(H,12,13)

InChI Key:BWSHOYXWNFLBBR-UHFFFAOYSA-N

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

Specification

98%

References

PCT Int. Appl. (2008), WO 2008016131 A1 20080207.        

U.S. Pat. Appl. Publ. (2014), US 20140183467 A1 20140703.                                                           

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