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The molecular formula of the compound is C9H12BNO4.
The molecular weight of the compound is 209.01 g/mol.
The IUPAC name of the compound is [2-methoxy-4-(methylcarbamoyl)phenyl]boronic acid.
The InChI of the compound is InChI=1S/C9H12BNO4/c1-11-9(12)6-3-4-7(10(13)14)8(5-6)15-2/h3-5,13-14H,1-2H3,(H,11,12).
The InChIKey of the compound is ZSPSEMZFBHOFIX-UHFFFAOYSA-N.
The canonical SMILES of the compound is B(C1=C(C=C(C=C1)C(=O)NC)OC)(O)O.
The hydrogen bond donor count of the compound is 3.
The hydrogen bond acceptor count of the compound is 4.
The topological polar surface area of the compound is 78.8Ų.
Yes, the compound is a canonicalized form.
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