CAS
247564-71-2 Purity
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247564-71-2 Purity
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Specification
The molecular formula is C9H13BO3.
The molecular weight is 180.01 g/mol.
The IUPAC name is (4-methoxy-2,6-dimethylphenyl)boronic acid.
The InChI is InChI=1S/C9H13BO3/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5,11-12H,1-3H3.
The InChIKey is UOSSBXMFWPYHEF-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=C(C=C1C)OC)C)(O)O.
The CAS number is 361543-99-9.
The EC number is 689-088-5.
The DSSTox Substance ID is DTXSID00395428.
Yes, it is considered a canonicalized compound.