3-(4-Nitrophenoxy)propionic acid
TL;DR: 3-(4-Nitrophenoxy)propionic acid (CAS 1086138-36-4) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.04807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-nitrophenoxy)propanoic acid
Also Known As: 3-(4-Nitrophenoxy)propionic acid, 3-(4-Nitrophenoxy)propanoic acid, 3-[p-Nitrophenoxy]propionic acid, 3-(4-Nitrophenoxy)-propanoic acid, 3-(4-Nitrophenoxy)propanoicacid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.04807 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.04807 Da |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OCCC(=O)O |
| InChIKey | RRQDYEMTBDVXQY-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Nitrophenoxy)propionic acid
Property Insights of 3-(4-Nitrophenoxy)propionic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Nitrophenoxy)propionic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrophenoxy)propionic acid. Following Lipinski's Rule of Five, 3-(4-Nitrophenoxy)propionic 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-(4-Nitrophenoxy)propionic acid?
The CAS number of 3-(4-Nitrophenoxy)propionic acid is 1086138-36-4.
What is the molecular formula of 3-(4-Nitrophenoxy)propionic acid?
The molecular formula of 3-(4-Nitrophenoxy)propionic acid is C9H9NO5.
What is the molecular weight of 3-(4-Nitrophenoxy)propionic acid?
The molecular weight of 3-(4-Nitrophenoxy)propionic acid is 211.04807 g/mol.
Where can I buy 3-(4-Nitrophenoxy)propionic acid?
You can request a quote for 3-(4-Nitrophenoxy)propionic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Nitrophenoxy)propionic acid?
Yes, CoreyChem provides custom synthesis services for 3-(4-Nitrophenoxy)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.