CAS Registry Number: 851335-12-1

Name:

Benzoic acid, 4-​borono-​2-​methoxy-
4-​Borono-​2-​methoxybenzoic acid; 4-​Carboxy-​3-​methoxyphenylboronic acid 

Deleted CAS Registry Numbers: 1246765-​62-​7

Chemical Formula: C8H9BO5
Exact Mass: 196.05
Molecular Weight: 195.97
m/z: 196.05 (100.0%), 195.06 (24.8%), 197.06 (9.3%), 196.06 (2.2%), 198.06 (1.4%)

InChI: InChI=1S/C8H9BO5/c1-14-7-4-5(9(12)13)2-3-6(7)8(10)11/h2-4,12-13H,1H3,(H,10,11)
InChIKey: ASOXJGFTNRPKEN-UHFFFAOYSA-N
Canonical SMILES : B(C1=CC(=C(C=C1)C(=O)O)OC)(O)O

Specification

98%

PCT Int. Appl. (2013), WO 2013117285 A1 20130815.                                  

PCT Int. Appl. (2013), WO 2013012918 A1 20130124.