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CAS Number: 20826-03-3
5-methoxynicotinic acid

Structure

5-methoxynicotinic acid
Name: 5-methoxynicotinic acid
Synonyms:
General Information
Product Number: 20826033

CAS Registry Number 20826-03-3
Name:
3-​Pyridinecarboxylic acid, 5-​methoxy-
Nicotinic acid, 5-methoxy- (7CI,8CI)
5-Methoxynicotinic acid
5-Methoxypyridine-3-carboxylic acid

 

Chemical Formula: C7H7NO3
Exact Mass: 153.04
Molecular Weight: 153.14
m/z: 153.04 (100.0%), 154.05 (7.8%)

 

InChI:InChI=1S/C7H7NO3/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4H,1H3,(H,9,10)

InChI Key:VDZUWTLBWRZRTR-UHFFFAOYSA-N

Canonical SMILES:COC1=CN=CC(=C1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 235-237 °C   (1)CAS
Melting Point 228-229 °C   (2)CAS
Melting Point 136-137 °C   (3)CAS

Specification

98%

References

(1) Khanna, Ish K.; Journal of Medicinal Chemistry 2000, V43(16), P3168-3185 CAPLUS
(2) Urban, R.; Helvetica Chimica Acta 1964, V47(2), P363-79 CAPLUS
(3) Ueno, Yoshio; Nippon Kagaku Zasshi 1967, V88(11), P1210-12 CAPLUS

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