3-Methoxy-4-nitrobenzoic acid
TL;DR: 3-Methoxy-4-nitrobenzoic acid (CAS 5081-36-7) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methoxy-4-nitrobenzoic acid
Also Known As: 3-Methoxy-4-nitrobenzoic acid, 4-Nitro-3-methoxybenzoic acid, 4-Nitro-m-anisic Acid, Benzoic acid, 3-methoxy-4-nitro-, 2-Chloropyridine N-oxide
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NO5 |
| Molecular Weight | 197.03242 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.03242 Da |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
| SMILES | COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] |
| InChIKey | PWURRRRGLCVBMX-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methoxy-4-nitrobenzoic acid
Property Insights of 3-Methoxy-4-nitrobenzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-4-nitrobenzoic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-4-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-Methoxy-4-nitrobenzoic acid has 1 hydrogen bond donor(s) and 5 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-Methoxy-4-nitrobenzoic acid?
The CAS number of 3-Methoxy-4-nitrobenzoic acid is 5081-36-7.
What is the molecular formula of 3-Methoxy-4-nitrobenzoic acid?
The molecular formula of 3-Methoxy-4-nitrobenzoic acid is C8H7NO5.
What is the molecular weight of 3-Methoxy-4-nitrobenzoic acid?
The molecular weight of 3-Methoxy-4-nitrobenzoic acid is 197.03242 g/mol.
Where can I buy 3-Methoxy-4-nitrobenzoic acid?
You can request a quote for 3-Methoxy-4-nitrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methoxy-4-nitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Methoxy-4-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.