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The IUPAC name of the compound is [3-(diethylcarbamoyl)phenyl]boronic acid.
The molecular formula of the compound is C11H16BNO3.
The molecular weight of the compound is 221.06 g/mol.
The InChI of the compound is InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-6-5-7-10(8-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3.
The InChIKey of the compound is DDHUSSNOKNYLAI-UHFFFAOYSA-N.
The canonical SMILES of the compound is B(C1=CC(=CC=C1)C(=O)N(CC)CC)(O)O.
The CAS number of the compound is 237413-05-7.
The compound has 2 hydrogen bond donor counts.
The compound has 3 hydrogen bond acceptor counts.
Yes, the compound is canonicalized.
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