957061-21-1 Purity
98%
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The molecular formula is C9H13BO4.
The synonyms are 2-ETHOXY-5-METHOXYPHENYLBORONIC ACID, 957065-85-9, (2-ethoxy-5-methoxyphenyl)boronic acid, (2-ethoxy-5-methoxy-phenyl)boronic acid.
The molecular weight is 196.01 g/mol.
The IUPAC name is (2-ethoxy-5-methoxyphenyl)boronic acid.
The InChI is InChI=1S/C9H13BO4/c1-3-14-9-5-4-7(13-2)6-8(9)10(11)12/h4-6,11-12H,3H2,1-2H3.
The InChIKey is QZURUWKQPQTXPR-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=CC(=C1)OC)OCC)(O)O.
The CAS number is 957065-85-9.
Yes, the compound is canonicalized.