97396-56-0 Purity
96%
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Specification
The molecular formula is C9H10BNO3.
The molecular weight is 190.99 g/mol.
It was created on October 25, 2006.
The IUPAC name is [3-(prop-2-enoylamino)phenyl]boronic acid.
The InChI is InChI=1S/C9H10BNO3/c1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h2-6,13-14H,1H2,(H,11,12).
The InChIKey is ULVXDHIJOKEBMW-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=CC=C1)NC(=O)C=C)(O)O.
The CAS number is 99349-68-5.
It has 3 hydrogen bond donor counts.
The topological polar surface area is 69.6 Ų.