2-Methoxy-6-nitrophenylacetic acid
TL;DR: 2-Methoxy-6-nitrophenylacetic acid (CAS 20876-28-2) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methoxy-6-nitrophenyl)acetic acid
Also Known As: 2-Methoxy-6-nitrophenylacetic acid, 2-(2-methoxy-6-nitrophenyl)acetic acid, Benzeneacetic acid, 2-methoxy-6-nitro-, (2-Methoxy-6-nitrophenyl)acetic acid, 2-METHOXY-6-NITROPHENYLACETICACID
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.04807 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 20876-28-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1CC(=O)O)[N+](=O)[O-] |
| InChIKey | WWZXCZMODVFKSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxy-6-nitrophenylacetic acid (CAS 20876-28-2), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: 2-(2-methoxy-6-nitrophenyl)acetic acid.
Chemical Property Profile of 2-Methoxy-6-nitrophenylacetic acid
Property Insights of 2-Methoxy-6-nitrophenylacetic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-6-nitrophenylacetic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxy-6-nitrophenylacetic acid. Following Lipinski's Rule of Five, 2-Methoxy-6-nitrophenylacetic 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
Frequently Asked Questions
What is the CAS number of 2-Methoxy-6-nitrophenylacetic acid?
The CAS number of 2-Methoxy-6-nitrophenylacetic acid is 20876-28-2.
What is the molecular formula of 2-Methoxy-6-nitrophenylacetic acid?
The molecular formula of 2-Methoxy-6-nitrophenylacetic acid is C9H9NO5.
What is the molecular weight of 2-Methoxy-6-nitrophenylacetic acid?
The molecular weight of 2-Methoxy-6-nitrophenylacetic acid is 211.05 g/mol.
Where can I buy 2-Methoxy-6-nitrophenylacetic acid?
You can request a quote for 2-Methoxy-6-nitrophenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-6-nitrophenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-6-nitrophenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.