2-(2-Methyl-6-nitrophenyl)acetic acid
TL;DR: 2-(2-Methyl-6-nitrophenyl)acetic acid (CAS 23876-18-8) 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-(2-methyl-6-nitrophenyl)acetic acid
Also Known As: 2-(2-methyl-6-nitrophenyl)acetic acid, 2-Methyl-6-nitrobenzeneacetic acid, 2-METHYL-6-NITROPHENYLACETIC ACID, 2-(2-methyl-6-nitrophenyl)aceticacid, 2-methyl-6-nitro-phenylacetic acid
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 23876-18-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)[N+](=O)[O-])CC(=O)O |
| InChIKey | WFKNETIJXXWRHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Methyl-6-nitrophenyl)acetic acid (CAS 23876-18-8), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 2-(2-methyl-6-nitrophenyl)acetic acid.
Chemical Property Profile of 2-(2-Methyl-6-nitrophenyl)acetic acid
Property Insights of 2-(2-Methyl-6-nitrophenyl)acetic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Methyl-6-nitrophenyl)acetic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Methyl-6-nitrophenyl)acetic acid. Following Lipinski's Rule of Five, 2-(2-Methyl-6-nitrophenyl)acetic 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-(2-Methyl-6-nitrophenyl)acetic acid?
The CAS number of 2-(2-Methyl-6-nitrophenyl)acetic acid is 23876-18-8.
What is the molecular formula of 2-(2-Methyl-6-nitrophenyl)acetic acid?
The molecular formula of 2-(2-Methyl-6-nitrophenyl)acetic acid is C9H9NO4.
What is the molecular weight of 2-(2-Methyl-6-nitrophenyl)acetic acid?
The molecular weight of 2-(2-Methyl-6-nitrophenyl)acetic acid is 195.05 g/mol.
Where can I buy 2-(2-Methyl-6-nitrophenyl)acetic acid?
You can request a quote for 2-(2-Methyl-6-nitrophenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Methyl-6-nitrophenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methyl-6-nitrophenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.