CAS Registry Number: 4385-78-8
Name:

3-(pyridin-4-yl)benzoic acid

3-Pyrid-4-ylbenzoic acid

Chemical Formula: C12H9NO2
Exact Mass: 199.06
Molecular Weight: 199.21
m/z: 199.06 (100.0%), 200.07 (13.2%), 201.07 (1.2%)

InChI
InChI=1S/C12H9NO2/c14-12(15)11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H,(H,14,15)
InChI Key
IYGIZNZSONLPSI-UHFFFAOYSA-N
Canonical SMILES
C1=CC(=CC(=C1)C(=O)O)C2=CC=NC=C2

Specification

98%

CrystEngComm (2016), 18(23), 4336-4342

RSC Advances (2015), 5(107), 88218-88233