(3-Methyl-4-nitrophenoxy)acetic acid
TL;DR: (3-Methyl-4-nitrophenoxy)acetic acid (CAS 85444-81-1) 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-(3-methyl-4-nitrophenoxy)acetic acid
Also Known As: (3-methyl-4-nitrophenoxy)acetic acid, aceticacid, 2-(3-methyl-4-nitrophenoxy)acetic acid, 3-methyl-4-nitrophenoxyacetic acid, Acetic acid,2-(3-methyl-4-nitrophenoxy)-
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 1.36662 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.04807 |
| Heavy Atoms | 15 |
| Complexity | 401.48923 |
Chemical Identifiers
| CAS Number | 85444-81-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(=O)O)[N+](=O)[O-] |
Product Overview
(3-Methyl-4-nitrophenoxy)acetic acid (CAS 85444-81-1), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: 2-(3-methyl-4-nitrophenoxy)acetic acid.
Chemical Property Profile of (3-Methyl-4-nitrophenoxy)acetic acid
Property Insights of (3-Methyl-4-nitrophenoxy)acetic acid
The XLogP value of 1.36662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methyl-4-nitrophenoxy)acetic acid. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Methyl-4-nitrophenoxy)acetic acid. Following Lipinski's Rule of Five, (3-Methyl-4-nitrophenoxy)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 (3-Methyl-4-nitrophenoxy)acetic acid?
The CAS number of (3-Methyl-4-nitrophenoxy)acetic acid is 85444-81-1.
What is the molecular formula of (3-Methyl-4-nitrophenoxy)acetic acid?
The molecular formula of (3-Methyl-4-nitrophenoxy)acetic acid is C9H9NO5.
What is the molecular weight of (3-Methyl-4-nitrophenoxy)acetic acid?
The molecular weight of (3-Methyl-4-nitrophenoxy)acetic acid is 211.05 g/mol.
Where can I buy (3-Methyl-4-nitrophenoxy)acetic acid?
You can request a quote for (3-Methyl-4-nitrophenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methyl-4-nitrophenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Methyl-4-nitrophenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.