1451393-07-9 Purity
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The molecular formula is C11H17BO3.
The synonyms are 1192107-41-7, (4-Isopropoxy-2,6-dimethylphenyl)boronic acid, and 4-ISOPROPOXY-2,6-DIMETHYLPHENYLBORONIC ACID.
The molecular weight is 208.06 g/mol.
The IUPAC name is (2,6-dimethyl-4-propan-2-yloxyphenyl)boronic acid.
The InChI is InChI=1S/C11H17BO3/c1-7(2)15-10-5-8(3)11(12(13)14)9(4)6-10/h5-7,13-14H,1-4H3.
The InChIKey is CDLOENHMDAFPEK-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=C(C=C1C)OC(C)C)C)(O)O.
It has 2 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
The topological polar surface area is 49.7Ų.