720702-41-0 Purity
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The molecular formula is C8H9BO5.
The synonyms are 4-Borono-3-methoxybenzoic acid, 741699-09-2, 4-CARBOXY-2-METHOXYPHENYLBORONIC ACID, 4-(DIHYDROXYBORYL)-3-METHOXYBENZOICACID, MFCD10696665.
The molecular weight is 195.97 g/mol.
The IUPAC name is 4-borono-3-methoxybenzoic acid.
The InChI is InChI=1S/C8H9BO5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4,12-13H,1H3,(H,10,11).
The InChIKey is ITWXOEQLYFYTJX-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=C(C=C1)C(=O)O)OC)(O)O.
The CAS number is 741699-09-2.
Yes, it is a canonicalized compound according to PubChem.