1104637-58-2 Purity
96%
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Specification
The molecular formula is C8H12BNO3 according to PubChem CID 46739318.
The synonyms include 1150114-42-3, 2-ISOPROPOXYPYRIDINE-3-BORONIC ACID, (2-Isopropoxypyridin-3-yl)boronic acid, and (2-propan-2-yloxypyridin-3-yl)boronic acid, among others.
The computed molecular weight is 181.00 g/mol according to PubChem.
The IUPAC name is (2-propan-2-yloxypyridin-3-yl)boronic acid.
The InChI code is InChI=1S/C8H12BNO3/c1-6(2)13-8-7(9(11)12)4-3-5-10-8/h3-6,11-12H,1-2H3.
The InChIKey is YUKJNDOHNQLKCG-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(N=CC=C1)OC(C)C)(O)O.
The CAS number is 1150114-42-3.
The molecular weight is 181.00 g/mol according to PubChem.
Yes, it is a canonicalized compound according to PubChem.