1309981-32-5 Purity
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Specification
The molecular formula is C11H16BNO3.
The molecular weight is 221.06 g/mol.
The IUPAC name is [2-(2,2-dimethylpropanoylamino)phenyl]boronic acid.
The InChI is InChI=1S/C11H16BNO3/c1-11(2,3)10(14)13-9-7-5-4-6-8(9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14).
The InChIKey is MXRAJVMTCAUABO-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC=CC=C1NC(=O)C(C)(C)C)(O)O.
The CAS number is 146140-95-6.
The European Community (EC) Number is 681-090-4.
The DSSTox Substance ID is DTXSID50400637.
The topological polar surface area is 69.6Ų.