1309982-25-9 Purity
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The molecular formula of the compound is C8H12BNO3.
The molecular weight of the compound is 181.00 g/mol.
The IUPAC name of the compound is [6-(2-hydroxypropan-2-yl)pyridin-2-yl]boronic acid.
The InChI of the compound is InChI=1S/C8H12BNO3/c1-8(2,11)6-4-3-5-7(10-6)9(12)13/h3-5,11-13H,1-2H3.
The InChIKey of the compound is OJKBHCOYAGROKV-UHFFFAOYSA-N.
The canonical SMILES of the compound is B(C1=NC(=CC=C1)C(C)(C)O)(O)O.
The CAS number of the compound is 1309981-32-5.
The compound has 3 hydrogen bond donor counts.
The compound has 4 hydrogen bond acceptor counts.
The compound has 2 rotatable bond counts.