3-Ethoxybenzoic acid
TL;DR: 3-Ethoxybenzoic acid (CAS 621-51-2) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethoxybenzoic acid
Also Known As: 3-ETHOXYBENZOIC ACID, Benzoic acid, 3-ethoxy-, m-Ethoxybenzoic acid, 3-Ethoxybenzoate, 3-Ethoxy Benzoic Acid
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.06299 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 Da |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
| SMILES | CCOC1=CC=CC(=C1)C(=O)O |
| InChIKey | DTFQMPQJMDEWKJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Ethoxybenzoic acid
Property Insights of 3-Ethoxybenzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxybenzoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Ethoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxybenzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Ethoxybenzoic acid?
The CAS number of 3-Ethoxybenzoic acid is 621-51-2.
What is the molecular formula of 3-Ethoxybenzoic acid?
The molecular formula of 3-Ethoxybenzoic acid is C9H10O3.
What is the molecular weight of 3-Ethoxybenzoic acid?
The molecular weight of 3-Ethoxybenzoic acid is 166.06299 g/mol.
Where can I buy 3-Ethoxybenzoic acid?
You can request a quote for 3-Ethoxybenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Ethoxybenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Ethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.