1309982-61-3 Purity
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The molecular formula is C11H16BNO6.
The molecular weight is 269.06 g/mol.
The IUPAC name is [5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]boronic acid.
The InChI is InChI=1S/C11H16BNO6/c1-11(2,3)19-10(15)13-7(9(14)18-4)5-6-8(13)12(16)17/h5-6,16-17H,1-4H3.
The InChIKey is MUBAJJNRNZMQAJ-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC=C(N1C(=O)OC(C)(C)C)C(=O)OC)(O)O.
The CAS number is 1150114-43-4.
The EC number is 890-065-9.
It has 2 hydrogen bond donor count.
It has 6 hydrogen bond acceptor count.