3-Methoxybenzoic Acid
TL;DR: 3-Methoxybenzoic Acid (CAS 586-38-9) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxybenzoic acid
Also Known As: 3-METHOXYBENZOIC ACID, m-Anisic acid, m-Methoxybenzoic acid, 3-Anisic acid, Benzoic acid, 3-methoxy-
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
| Melting Point | 110.5 °C |
| Boiling Point | 170.00 to 172.00 °C. @ 10.00 mm Hg |
| Solubility | soluble in boiling water, organic solvents |
| Vapor Pressure | 0.0015 [mmHg] |
Chemical Identifiers
| CAS Number | 586-38-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)O |
| InChIKey | XHQZJYCNDZAGLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxybenzoic Acid (CAS 586-38-9), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: 3-methoxybenzoic acid.
Chemical Property Profile of 3-Methoxybenzoic Acid
Property Insights of 3-Methoxybenzoic Acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxybenzoic Acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Methoxybenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxybenzoic 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
Frequently Asked Questions
What is the CAS number of 3-Methoxybenzoic Acid?
The CAS number of 3-Methoxybenzoic Acid is 586-38-9.
What is the molecular formula of 3-Methoxybenzoic Acid?
The molecular formula of 3-Methoxybenzoic Acid is C8H8O3.
What is the molecular weight of 3-Methoxybenzoic Acid?
The molecular weight of 3-Methoxybenzoic Acid is 152.05 g/mol.
Where can I buy 3-Methoxybenzoic Acid?
You can request a quote for 3-Methoxybenzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxybenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxybenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.