CAS
1003043-67-1 Purity
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1003043-67-1 Purity
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The molecular formula is C6H9BN2O2.
The IUPAC name is (4-amino-6-methylpyridin-3-yl)boronic acid.
The molecular weight is 151.96 g/mol.
The InChI is InChI=1S/C6H9BN2O2/c1-4-2-6(8)5(3-9-4)7(10)11/h2-3,10-11H,1H3,(H2,8,9).
The InChIKey is MCVSNIWPAPLUJG-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=C(N=C1)C)N)(O)O.
The CAS number is 1310404-54-6.
The DSSTox Substance ID is DTXSID30694436.
The hydrogen bond donor count is 3.
The hydrogen bond acceptor count is 4.