265664-63-9 Purity
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Specification
The molecular formula of 3-Carboxyphenylboronic acid pinacol ester is C13H17BO4.
The molecular weight of 3-Carboxyphenylboronic acid pinacol ester is 248.08 g/mol.
The IUPAC name of 3-Carboxyphenylboronic acid pinacol ester is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid.
The InChI of 3-Carboxyphenylboronic acid pinacol ester is InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H,15,16).
The InChIKey of 3-Carboxyphenylboronic acid pinacol ester is OPWAPCOSDAFWFB-UHFFFAOYSA-N.
The canonical SMILES of 3-Carboxyphenylboronic acid pinacol ester is B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)O.
The CAS number of 3-Carboxyphenylboronic acid pinacol ester is 269409-73-6.
The European Community (EC) number of 3-Carboxyphenylboronic acid pinacol ester is 671-852-4.
The ChEMBL ID of 3-Carboxyphenylboronic acid pinacol ester is CHEMBL573441.
The formal charge of 3-Carboxyphenylboronic acid pinacol ester is 0.