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CAS Number: 10128-72-0
methyl 3-hydroxyisonicotinate

Structure

methyl 3-hydroxyisonicotinate
Name: methyl 3-hydroxyisonicotinate
Synonyms:
General Information
Product Number: 10128720
CAS Registry Number: 10128-72-0
Name:
4-​Pyridinecarboxylic acid, 3-​hydroxy-​, methyl ester
Isonicotinic acid, 3-​hydroxy-​, methyl ester (7CI,​8CI); Methyl 3-​hydroxy-​4-​pyridinecarboxylate 
 
Chemical Formula: C7H7NO3
Exact Mass: 153.04
Molecular Weight: 153.14
m/z: 153.04 (100.0%), 154.05 (7.8%)
Elemental Analysis: C, 54.90; H, 4.61; N, 9.15; O, 31.34
 
InChI: InChI=1S/C7H7NO3/c1-11-7(10)5-2-3-8-4-6(5)9/h2-4,9H,1H3
InChIKey: OJRUFSZEJPZKQV-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=NC=C1)O
 
Thermal Properties Value Condition Note
Melting Point 80-81 °C Solv: hexane (110-54-3) (1)CAS
Melting Point 79-80 °C Solv: ligroine (8032-32-4) (2)CAS
Melting Point 79 °C   (3)IC

Specification

98%

References
  1. (1) Hansen, Poul Erik; Journal of Molecular Structure 2007, V844-845, P300-307 CAPLUS
  2. (2) Heinert, Dietrich; Tetrahedron 1958, V3, P49-61 CAPLUS
  3. (3) Dejardin, Jean Victor; Bulletin de la Societe Chimique de France 1978, (1-2, Pt. 2), P72-4 CAPLUS
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