860626-80-8 Purity
96%
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Specification
The molecular formula of 4-Cyanopyridine-3-boronic acid is C6H5BN2O2.
The molecular weight of 4-Cyanopyridine-3-boronic acid is 147.93 g/mol.
The IUPAC name of 4-Cyanopyridine-3-boronic acid is (4-cyanopyridin-3-yl)boronic acid.
The InChI of 4-Cyanopyridine-3-boronic acid is InChI=1S/C6H5BN2O2/c8-3-5-1-2-9-4-6(5)7(10)11/h1-2,4,10-11H.
The InChIKey of 4-Cyanopyridine-3-boronic acid is BHHPDDMECQZQNL-UHFFFAOYSA-N.
The canonical SMILES of 4-Cyanopyridine-3-boronic acid is B(C1=C(C=CN=C1)C#N)(O)O.
The CAS number of 4-Cyanopyridine-3-boronic acid is 874290-90-1.
The hydrogen bond donor count of 4-Cyanopyridine-3-boronic acid is 2.
The hydrogen bond acceptor count of 4-Cyanopyridine-3-boronic acid is 4.
Yes, 4-Cyanopyridine-3-boronic acid is a canonicalized compound.