3-(3-Nitrophenoxy)propanoic acid
TL;DR: 3-(3-Nitrophenoxy)propanoic acid (CAS 91004-46-5) 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.
3-(3-nitrophenoxy)propanoic acid
Also Known As: 3-(3-NITROPHENOXY)PROPIONIC ACID, 3-(3-nitrophenoxy)propanoic acid, 1-Benzoylpiperazine, ghl.PD_Mitscher_leg0.1281, Propanoic acid, 3-(3-nitrophenoxy)-
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 1.4483 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.04807 |
| Heavy Atoms | 15 |
| Complexity | 376.5204 |
Chemical Identifiers
| CAS Number | 91004-46-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCCC(=O)O)[N+](=O)[O-] |
Product Overview
3-(3-Nitrophenoxy)propanoic acid (CAS 91004-46-5), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: 3-(3-nitrophenoxy)propanoic acid.
Chemical Property Profile of 3-(3-Nitrophenoxy)propanoic acid
Property Insights of 3-(3-Nitrophenoxy)propanoic acid
The XLogP value of 1.4483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Nitrophenoxy)propanoic acid. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Nitrophenoxy)propanoic acid. Following Lipinski's Rule of Five, 3-(3-Nitrophenoxy)propanoic 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-(3-Nitrophenoxy)propanoic acid?
The CAS number of 3-(3-Nitrophenoxy)propanoic acid is 91004-46-5.
What is the molecular formula of 3-(3-Nitrophenoxy)propanoic acid?
The molecular formula of 3-(3-Nitrophenoxy)propanoic acid is C9H9NO5.
What is the molecular weight of 3-(3-Nitrophenoxy)propanoic acid?
The molecular weight of 3-(3-Nitrophenoxy)propanoic acid is 211.05 g/mol.
Where can I buy 3-(3-Nitrophenoxy)propanoic acid?
You can request a quote for 3-(3-Nitrophenoxy)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Nitrophenoxy)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Nitrophenoxy)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.