CAS
1029654-15-6 Purity
96%
1029654-15-6 Purity
96%
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Specification
The molecular formula is C7H10BNO3.
The molecular weight is 166.97 g/mol.
The IUPAC name is (2-methoxy-5-methylpyridin-3-yl)boronic acid.
The InChI is InChI=1S/C7H10BNO3/c1-5-3-6(8(10)11)7(12-2)9-4-5/h3-4,10-11H,1-2H3.
The InChIKey is WIIYALHHVMIETQ-UHFFFAOYSA-N.
The Canonical SMILES is B(C1=CC(=CN=C1OC)C)(O)O.
The CAS number is 1029654-27-0.
It has 2 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.
The topological polar surface area is 62.6Ų.