TL;DR: Nonylboronic acid (CAS 3088-78-6) is a chemical compound with molecular formula C9H21BO2 and molecular weight 172.16347 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
nonylboronic acid
Also Known As: NONYLBORONIC ACID, 1-Nonaneboronic acid, n-Nonylboric acid, 1-Nonaneboronicacid, Boronic acid, nonyl-
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| Molecular Formula | C9H21BO2 |
| Molecular Weight | 172.16347 g/mol |
| XLogP | 2.21 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 172.16347 Da |
| Heavy Atoms | 12 |
| Complexity | 86.0 |
| SMILES | B(CCCCCCCCC)(O)O |
| InChIKey | RHPOAOZKVCLNPE-UHFFFAOYSA-N |
The XLogP value of 2.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nonylboronic acid. With a topological polar surface area (TPSA) of 40.5 Ų, Nonylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonylboronic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Nonylboronic acid is 3088-78-6.
The molecular formula of Nonylboronic acid is C9H21BO2.
The molecular weight of Nonylboronic acid is 172.16347 g/mol.
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