![2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate structure](/static/products/129/1296866-44-8.webp)
2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate
TL;DR: 2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate (CAS 1296866-44-8) is a chemical compound with molecular formula C10H7NO8-2 and molecular weight 269.01718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(carboxylatomethoxy)-3-nitrophenoxy]acetate
Also Known As: 2-[4-(carboxylatomethoxy)-3-nitrophenoxy]acetate, 2-[3-nitro-4-(2-oxido-2-oxoethoxy)phenoxy]acetate
Technical Specifications
| Molecular Formula | C10H7NO8-2 |
| Molecular Weight | 269.01718 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.01718 Da |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
| SMILES | C1=CC(=C(C=C1OCC(=O)[O-])[N+](=O)[O-])OCC(=O)[O-] |
| InChIKey | YMMXSACQDYBNGZ-UHFFFAOYSA-L |
Chemical Property Profile of 2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate
Property Insights of 2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate. The TPSA of 145.0 Ų indicates high polarity, suggesting 2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate?
The CAS number of 2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate is 1296866-44-8.
What is the molecular formula of 2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate?
The molecular formula of 2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate is C10H7NO8-2.
What is the molecular weight of 2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate?
The molecular weight of 2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate is 269.01718 g/mol.
Where can I buy 2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate?
You can request a quote for 2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate?
Yes, CoreyChem provides custom synthesis services for 2-[4-(Carboxylatomethoxy)-3-nitrophenoxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.