CAS
1150114-43-4 Purity
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1150114-43-4 Purity
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The molecular formula is C8H12BNO3.
The molecular weight is 181.00 g/mol.
The IUPAC name is [4-(2-hydroxypropan-2-yl)pyridin-2-yl]boronic acid.
The InChI is InChI=1S/C8H12BNO3/c1-8(2,11)6-3-4-10-7(5-6)9(12)13/h3-5,11-13H,1-2H3.
The InChIKey is LSXVCYFWLXDKSK-UHFFFAOYSA-N.
The canonical SMILES is B(C1=NC=CC(=C1)C(C)(C)O)(O)O.
The CAS number is 1310385-00-2.
The hydrogen bond donor count is 3.
The hydrogen bond acceptor count is 4.
Yes, the compound is canonicalized.