CAS
1106676-82-7 Purity
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1106676-82-7 Purity
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The molecular formula is C11H16BNO3.
The molecular weight is 221.06 g/mol.
The IUPAC name is [4-(butylcarbamoyl)phenyl]boronic acid.
The InChI is InChI=1S/C11H16BNO3/c1-2-3-8-13-11(14)9-4-6-10(7-5-9)12(15)16/h4-7,15-16H,2-3,8H2,1H3,(H,13,14).
The InChIKey is YPXNMPMFCXGXPU-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC=C(C=C1)C(=O)NCCCC)(O)O.
The CAS number is 252663-48-2.
It has 3 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.