2,6-Dimethyl-3-nitrobenzoic acid
TL;DR: 2,6-Dimethyl-3-nitrobenzoic acid (CAS 6970-48-5) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethyl-3-nitrobenzoic acid
Also Known As: 2,6-dimethyl-3-nitrobenzoic acid, Benzoic acid, 2,6-dimethyl-3-nitro-, 2,6-Dimethyl-3-nitro-benzoic acid, 2,6-dimethyl-3-nitrobenzoicacid, 3-nitro-2,6-dimethylbenzoic acid
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 6970-48-5 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)[N+](=O)[O-])C)C(=O)O |
| InChIKey | GOGALNMBJIGJNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethyl-3-nitrobenzoic acid (CAS 6970-48-5), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 2,6-dimethyl-3-nitrobenzoic acid.
Chemical Property Profile of 2,6-Dimethyl-3-nitrobenzoic acid
Property Insights of 2,6-Dimethyl-3-nitrobenzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethyl-3-nitrobenzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethyl-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 2,6-Dimethyl-3-nitrobenzoic acid has 1 hydrogen bond donor(s) and 4 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 2,6-Dimethyl-3-nitrobenzoic acid?
The CAS number of 2,6-Dimethyl-3-nitrobenzoic acid is 6970-48-5.
What is the molecular formula of 2,6-Dimethyl-3-nitrobenzoic acid?
The molecular formula of 2,6-Dimethyl-3-nitrobenzoic acid is C9H9NO4.
What is the molecular weight of 2,6-Dimethyl-3-nitrobenzoic acid?
The molecular weight of 2,6-Dimethyl-3-nitrobenzoic acid is 195.05 g/mol.
Where can I buy 2,6-Dimethyl-3-nitrobenzoic acid?
You can request a quote for 2,6-Dimethyl-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.