CAS Registry Number: 39998-25-9

Name:

3-​Pyridineacetic acid, methyl ester
Methyl 3-​pyridineacetate; Methyl 3-​pyridylacetate; Methyl pyridin-​3-​ylacetate; NSC 75852 

Chemical Formula: C8H9NO2
Exact Mass: 151.06
Molecular Weight: 151.16
m/z: 151.06 (100.0%), 152.07 (8.8%)
Elemental Analysis: C, 63.56; H, 6.00; N, 9.27; O, 21.17

InChI: InChI=1S/C8H9NO2/c1-11-8(10)5-7-3-2-4-9-6-7/h2-4,6H,5H2,1H3
InChIKey: PZXIEBDIPWIRGB-UHFFFAOYSA-N
Canonical SMILES : COC(=O)CC1=CN=CC=C1

Specification

98%

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2. (2) GB 560449 1944 CAPLUS
3. (3) GB 563171 1944 CAPLUS
4. (4) Hartmann, Max; US 2408020 1946 CAPLUS
5. (5) Schwenk, Erwin; Journal of Organic Chemistry 1946, V11, P798-802 CAPLUS
6. (6) Allen, Annette D.; Journal of the American Chemical Society 2004, V126(48), P15777-15783 CAPLUS