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CAS Number: 17874-79-2
5-(methoxycarbonyl)picolinic acid

Structure

5-(methoxycarbonyl)picolinic acid
Name: 5-(methoxycarbonyl)picolinic acid
Synonyms:
General Information
Product Number: 17874792

CAS Registry Number 17874-79-2
Name:
2,?5-?Pyridinedicarboxylic acid, 5-?methyl ester
2-Carboxy-5-(methoxycarbonyl)pyridine
5-(Methoxycarbonyl)picolinic acid
5-Carbomethoxypyridine-2-carboxylic acid
5-Methoxycarbonylpyridine-2-carboxylic acid
Methyl 2-carboxypyridine-5-carboxylate

 

Chemical Formula: C8H7NO4
Exact Mass: 181.04
Molecular Weight: 181.15
m/z: 181.04 (100.0%), 182.04 (8.9%), 183.04 (1.2%)

 

InChI:InChI=1S/C8H7NO4/c1-13-8(12)5-2-3-6(7(10)11)9-4-5/h2-4H,1H3,(H,10,11)

InChI Key:NTCKZTBRFXTYBD-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 194.1-195.1 °C Solv: acetone (67-64-1) (2)CAS
Melting Point 185-186 °C Solv: methanol (67-56-1); water (7732-18-5) (1)CAS
Melting Point 175.5-180 °C   (8)CAS

Specification

98%

References
  1. (1) Schiffner, Julia A.; European Journal of Organic Chemistry 2010, (1), P174-182, S174/1-S174/70 CAPLUS
  2. (2) Hendrickson, James B.; Organic Letters 2004, V6(1), P3-5 CAPLUS
  3. (8) Thunus, L.; Journal de Pharmacie de Belgique 1969, V24(1-2), P3-21 CAPLUS
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