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The molecular formula is C16H27BN2O4.
The molecular weight is 322.2 g/mol.
The IUPAC name is 1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
The InChI is InChI=1S/C16H27BN2O4/c1-15(2)16(3,4)23-17(22-15)13-11-18-19(12-13)8-10-21-14-7-5-6-9-20-14/h11-12,14H,5-10H2,1-4H3.
The InChIKey is YWRBLSYOLXMZGA-UHFFFAOYSA-N.
The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCOC3CCCCO3.
The CAS number is 956907-34-9.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 5.
Yes, the compound is canonicalized.
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