CAS
380430-49-9 Purity
97%
380430-49-9 Purity
97%
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The molecular formula is C11H16BNO3.
The molecular weight is 221.06 g/mol.
The IUPAC name is [4-(diethylcarbamoyl)phenyl]boronic acid.
The InChI is InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-5-7-10(8-6-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3.
The InChIKey is ZCGVBHIMRVYWOH-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC=C(C=C1)C(=O)N(CC)CC)(O)O.
The CAS number is 389621-80-1.
The EC number is 808-086-9.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 3.