CAS
1451392-04-3 Purity
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1451392-04-3 Purity
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Specification
The molecular formula is C9H14BNO4.
The molecular weight is 211.03 g/mol.
The IUPAC name is (2,6-diethoxypyridin-3-yl)boronic acid.
The InChI is InChI=1S/C9H14BNO4/c1-3-14-8-6-5-7(10(12)13)9(11-8)15-4-2/h5-6,12-13H,3-4H2,1-2H3.
The InChIKey is HTELBRAIBMTDOF-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(N=C(C=C1)OCC)OCC)(O)O.
The CAS number is 1003043-46-6.
It has 2 hydrogen bond donor counts.
It has 5 hydrogen bond acceptor counts.
The topological polar surface area is 71.8Ų.