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The molecular formula is C8H9BO5.
The molecular weight is 195.97 g/mol.
The IUPAC name is 4-borono-2-methoxybenzoic acid.
The InChI is InChI=1S/C8H9BO5/c1-14-7-4-5(9(12)13)2-3-6(7)8(10)11/h2-4,12-13H,1H3,(H,10,11).
The InChIKey is ASOXJGFTNRPKEN-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C=C1)C(=O)O)OC)(O)O.
The CAS number is 851335-12-1.
The hydrogen bond donor count is 3.
The hydrogen bond acceptor count is 5.
Yes, it is canonicalized.
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