TL;DR: 4-(Carboxyvin-2-Yl)Phenylboronic Acid (CAS 151169-68-5) is a chemical compound with molecular formula C9H9BO4 and molecular weight 192.05939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-boronophenyl)prop-2-enoic acid
Also Known As: (E)-3-(4-Boronophenyl)acrylic acid, 3-(4-Boronophenyl)Acrylic Acid, 4-Boronocinnamic acid, 4-(E-2-Carboxyvinyl)phenylboronic acid, 4-(2-Carboxyvinyl)phenylboronic acid
| Molecular Formula | C9H9BO4 |
| Molecular Weight | 192.05939 g/mol |
| XLogP | -0.5358 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.05939 Da |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
| SMILES | B(C1=CC=C(C=C1)/C=C/C(=O)O)(O)O |
| InChIKey | IEMLKNHGGSYOMP-ZZXKWVIFSA-N |
The XLogP value of -0.5358 indicates that 4-(Carboxyvin-2-Yl)Phenylboronic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Carboxyvin-2-Yl)Phenylboronic Acid. Following Lipinski's Rule of Five, 4-(Carboxyvin-2-Yl)Phenylboronic Acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(Carboxyvin-2-Yl)Phenylboronic Acid is 151169-68-5.
The molecular formula of 4-(Carboxyvin-2-Yl)Phenylboronic Acid is C9H9BO4.
The molecular weight of 4-(Carboxyvin-2-Yl)Phenylboronic Acid is 192.05939 g/mol.
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