CAS Registry Number: 914397-60-7

Name:

Benzeneacetic acid, 3-​borono-
3-​(Carboxymethyl)​phenylboronic acid 

Chemical Formula: C8H9BO4
Exact Mass: 180.06
Molecular Weight: 179.97
m/z: 180.06 (100.0%), 179.06 (24.8%), 181.06 (8.8%), 180.07 (2.2%)

InChI: InChI=1S/C8H9BO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4,12-13H,5H2,(H,10,11)
InChIKey: UQOJWKCPHDCNQS-UHFFFAOYSA-N
Canonical SMILES : B(C1=CC(=CC=C1)CC(=O)O)(O)O

Specification

98%

PCT Int. Appl. (2014), WO 2014079787 A1 20140530.                                 

PCT Int. Appl. (2012), WO 2012037108 A1 20120322.