CAS Registry Number: 872091-00-4

Name:

Benzoic acid, 3-​(1-​cyano-​1-​methylethyl)​-
3-​(1-​Cyano-​1-​methylethyl)​benzoic acid; 3-​(2-​Cyanopropan-​2-​yl)​benzoic acid 

Chemical Formula: C11H11NO2
Exact Mass: 189.08
Molecular Weight: 189.21
m/z: 189.08 (100.0%), 190.08 (12.3%)

InChI: InChI=1S/C11H11NO2/c1-11(2,7-12)9-5-3-4-8(6-9)10(13)14/h3-6H,1-2H3,(H,13,14)
InChIKey: VSCTXXVTZNQKAX-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C#N)C1=CC=CC(=C1)C(=O)O

Specification

98%

PCT Int. Appl. (2013), WO 2013100672 A1 20130704. 

PCT Int. Appl. (2012), WO 2012148792 A1 20121101.