CAS Registry Number: 56026-36-9

Name:

3-​Pyridinecarboxylic acid, 6-​(hydroxymethyl)​-​, methyl ester
6-​Hydroxymethylnicotin​ic acid methyl ester; Methyl 6-​(hydroxymethyl)​nicotinate; Methyl 6-​(hydroxymethyl)​pyridine-​3-​carboxylate 

Chemical Formula: C8H9NO3
Exact Mass: 167.06
Molecular Weight: 167.16
m/z: 167.06 (100.0%), 168.06 (9.2%)
Elemental Analysis: C, 57.48; H, 5.43; N, 8.38; O, 28.71

InChI: InChI=1S/C8H9NO3/c1-12-8(11)6-2-3-7(5-10)9-4-6/h2-4,10H,5H2,1H3
InChIKey: QVLONHSXRWCCAE-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CN=C(C=C1)CO

Specification

98%

1. (1) Chong, Hyun-Soon; Journal of Medicinal Chemistry 2004, V47(21), P5230-5234 CAPLUS
2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
3. (3) Yamaguchi, Motowo; Inorganic Chemistry 2006, V45(20), P8342-8354 CAPLUS
4. (4) Pfleger, Karl; Monatshefte fuer Chemie 1977, V108(2), P459-67 CAPLUS