2-Cyano-3-ethoxyacrylic acid
TL;DR: 2-Cyano-3-ethoxyacrylic acid (CAS 114951-19-8) is a chemical compound with molecular formula C6H7NO3 and molecular weight 141.04259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-ethoxyprop-2-enoic acid
Also Known As: 2-Cyano-3-ethoxyacrylic acid, Ethoxymethylenecyanoacetic acid, 2-cyano-3-ethoxyacrylicacid, Malonamic acid, 2-(ethoxymethylene)-, (E)-2-cyano-3-ethoxyprop-2-enoic acid
Technical Specifications
| Molecular Formula | C6H7NO3 |
| Molecular Weight | 141.04259 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 141.04259 Da |
| Heavy Atoms | 10 |
| Complexity | 198.0 |
| SMILES | CCO/C=C(\C#N)/C(=O)O |
| InChIKey | AVAQZFUVMGMHSC-SNAWJCMRSA-N |
Chemical Property Profile of 2-Cyano-3-ethoxyacrylic acid
Property Insights of 2-Cyano-3-ethoxyacrylic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-ethoxyacrylic acid. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-ethoxyacrylic acid. Following Lipinski's Rule of Five, 2-Cyano-3-ethoxyacrylic 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 2-Cyano-3-ethoxyacrylic acid?
The CAS number of 2-Cyano-3-ethoxyacrylic acid is 114951-19-8.
What is the molecular formula of 2-Cyano-3-ethoxyacrylic acid?
The molecular formula of 2-Cyano-3-ethoxyacrylic acid is C6H7NO3.
What is the molecular weight of 2-Cyano-3-ethoxyacrylic acid?
The molecular weight of 2-Cyano-3-ethoxyacrylic acid is 141.04259 g/mol.
Where can I buy 2-Cyano-3-ethoxyacrylic acid?
You can request a quote for 2-Cyano-3-ethoxyacrylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Cyano-3-ethoxyacrylic acid?
Yes, CoreyChem provides custom synthesis services for 2-Cyano-3-ethoxyacrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.