3-(2,4-Dichlorophenoxy)-3-oxopropanoic acid
TL;DR: 3-(2,4-Dichlorophenoxy)-3-oxopropanoic acid (CAS 110138-39-1) is a chemical compound with molecular formula C9H6Cl2O4 and molecular weight 247.96431 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,4-dichlorophenoxy)-3-oxopropanoic acid
Also Known As: 3-(2,4-dichlorophenoxy)-3-oxopropanoic acid, 3-(2,4-dichlorophenoxy)-3-oxopropanoate, 3-(2,4-dichlorophenoxy)-3-oxo-propanoic Acid, 3-(2,4-dichlorophenoxy)-3-oxopropanoicacid, 2E-072
Technical Specifications
| Molecular Formula | C9H6Cl2O4 |
| Molecular Weight | 247.96431 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.96431 Da |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)OC(=O)CC(=O)O |
| InChIKey | BZEPYLGATHPLOW-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2,4-Dichlorophenoxy)-3-oxopropanoic acid
Property Insights of 3-(2,4-Dichlorophenoxy)-3-oxopropanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4-Dichlorophenoxy)-3-oxopropanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,4-Dichlorophenoxy)-3-oxopropanoic acid. Following Lipinski's Rule of Five, 3-(2,4-Dichlorophenoxy)-3-oxopropanoic 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
What is the CAS number of 3-(2,4-Dichlorophenoxy)-3-oxopropanoic acid?
The CAS number of 3-(2,4-Dichlorophenoxy)-3-oxopropanoic acid is 110138-39-1.
What is the molecular formula of 3-(2,4-Dichlorophenoxy)-3-oxopropanoic acid?
The molecular formula of 3-(2,4-Dichlorophenoxy)-3-oxopropanoic acid is C9H6Cl2O4.
What is the molecular weight of 3-(2,4-Dichlorophenoxy)-3-oxopropanoic acid?
The molecular weight of 3-(2,4-Dichlorophenoxy)-3-oxopropanoic acid is 247.96431 g/mol.
Where can I buy 3-(2,4-Dichlorophenoxy)-3-oxopropanoic acid?
You can request a quote for 3-(2,4-Dichlorophenoxy)-3-oxopropanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2,4-Dichlorophenoxy)-3-oxopropanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(2,4-Dichlorophenoxy)-3-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.