CAS Number:
191157-01-4
Name:
benzyl 6-hydroxynicotinate

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%)
Elemental Analysis: C, 68.11; H, 4.84; N, 6.11; O, 20.94

Synonyms:
Phenylmethyl6-hydroxy-3-pyridinecarboxylate

InChI: InChI=1S/C13H11NO3/c15-12-7-6-11(8-14-12)13(16)17-9-10-4-2-1-3-5-10/h1-
8H,9H2,(H,14,15)
InChIKey: HGBIRINXNOIQIR-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C=C1)COC(=O)C2=CNC(=O)C=C2

Specification

98%

PCT Int. Appl. (2007), WO 2007067836 A2 20070614.

PCT Int. Appl. (2006), WO 2006100119 A1 20060928

PCT Int. Appl. (2003), WO 2003097047 A1 20031127.