TL;DR: 2-Propoxyacetic acid (CAS 54497-00-6) is a chemical compound with molecular formula C5H10O3 and molecular weight 118.062996 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-propoxyacetic acid
Also Known As: 2-Propoxyacetic acid, Propoxyacetic acid, Propoxyaceticacid, Acetic acid, propoxy-, Propoxyacetic aid
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H10O3 |
| Molecular Weight | 118.062996 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 118.062996 Da |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
| SMILES | CCCOCC(=O)O |
| InChIKey | SGUYGLMQEOSQTH-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propoxyacetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Propoxyacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propoxyacetic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propoxyacetic acid is 54497-00-6.
The molecular formula of 2-Propoxyacetic acid is C5H10O3.
The molecular weight of 2-Propoxyacetic acid is 118.062996 g/mol.
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