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CAS Number: 49751-49-7
5-isobutylpicolinic acid

Structure

5-isobutylpicolinic acid
Name: 5-isobutylpicolinic acid
Synonyms:
General Information
Product Number: 49751497

CAS Registry Number 49751-49-7
Name:
2-​Pyridinecarboxylic acid, 5-​(2-​methylpropyl)​-
5-(2-Methylpropyl)picolinic acid
5-Isobutylpyridine-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/c1-7(2)5-8-3-4-9(10(12)13)11-6-8/h3-4,6-7H,5H2,1-2H3,(H,12,13)

InChI Key:ZPXJBGFPNLUFBV-UHFFFAOYSA-N

Canonical SMILES:CC(C)CC1=CN=C(C=C1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 127-128 °C   (1)IC

Specification

98%

References

(1) Miyano, Koichi; Chemical & Pharmaceutical Bulletin 1978, V26(5), P1465-72 CAPLUS

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