849677-06-1 Purity
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Specification
The molecular formula of the compound is C10H12BNO3.
The synonyms of the compound are 850567-29-2, 3-Allylaminocarbonylphenylboronic acid, (3-(Allylcarbamoyl)phenyl)boronic acid, [3-(prop-2-enylcarbamoyl)phenyl]boronic Acid, and (3-Allylaminocarbonyl)phenylboronic acid.
The molecular weight of the compound is 205.02 g/mol.
The IUPAC name of the compound is [3-(prop-2-enylcarbamoyl)phenyl]boronic acid.
The InChI of the compound is InChI=1S/C10H12BNO3/c1-2-6-12-10(13)8-4-3-5-9(7-8)11(14)15/h2-5,7,14-15H,1,6H2,(H,12,13).
The InChIKey of the compound is BGDGMVTUXWBLLR-UHFFFAOYSA-N.
The canonical SMILES of the compound is B(C1=CC(=CC=C1)C(=O)NCC=C)(O)O.
The CAS number of the compound is 850567-29-2.
The hydrogen bond donor count of the compound is 3.
The hydrogen bond acceptor count of the compound is 3.