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CAS Number: 54629-15-1
2-(p-tolyloxy)nicotinic acid

Structure

 2-(p-tolyloxy)nicotinic acid
Name: 2-(p-tolyloxy)nicotinic acid
Synonyms:
General Information
Product Number: 54629151

CAS Registry Number 54629-15-1
Name:
3-?Pyridinecarboxylic acid, 2-?(4-?methylphenoxy)?-
2-(4-Methylphenoxy)-3-pyridinecarboxylic acid
2-(4-Methylphenoxy)nicotinic acid
2-(p-Tolyloxy)nicotinic acid

 

Chemical Formula: C13H11NO3
Exact Mass: 229.07
Molecular Weight: 229.23
m/z: 229.07 (100.0%), 230.08 (14.3%), 231.08 (1.6%)

 

InChI:InChI=1S/C13H11NO3/c1-9-4-6-10(7-5-9)17-12-11(13(15)16)3-2-8-14-12/h2-8H,1H3,(H,15,16)

InChI Key:KSZLPVGPJCYPCJ-UHFFFAOYSA-N

Canonical SMILES:CC1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 167-168 °C   (1)IC
Melting Point 164-165 °C   (2)IC

Specification

98%
References
  1. (1) Mikhalev, A. I.; Khimiya Geterotsiklicheskikh Soedinenii 1976, (9), P1235-8 CAPLUS
  2. (2) Villani, Frank J.; Journal of Medicinal Chemistry 1975, V18(1), P1-8 CAPLUS
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