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The molecular formula is C9H11BO3.
The molecular weight is 177.99 g/mol.
The IUPAC name is (4-formyl-2,3-dimethylphenyl)boronic acid.
The InChI is InChI=1S/C9H11BO3/c1-6-7(2)9(10(12)13)4-3-8(6)5-11/h3-5,12-13H,1-2H3.
The InChIKey is VWKSRDYVNJKHOI-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C(=C(C=C1)C=O)C)C)(O)O.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 3.
The topological polar surface area is 57.5 Ų.
Yes, it is canonicalized.
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