1150271-53-6 Purity
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Specification
The molecular formula is C12H18BNO3.
The synonyms are 1078575-71-9, (5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)METHANOL, [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]methanol, 2-(HYDROXYMETHYL)PYRIDINE-5-BORONIC ACID, PINACOL ESTER, and 6-(Hydroxymethyl)pyridine-3-boronic acid pinacol ester.
The molecular weight is 235.09 g/mol.
The IUPAC name is [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]methanol.
The InChI is InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-5-6-10(8-15)14-7-9/h5-7,15H,8H2,1-4H3.
The InChIKey is XFCRCZYNRQHVDP-UHFFFAOYSA-N.
The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)CO.
The CAS number is 1078575-71-9.
The DSSTox Substance ID is DTXSID70726169.
Yes, 6-(Hydroxymethyl)pyridine-3-boronicacidpinacolester is a canonicalized compound.