Ethyl cyano(1,3-dioxolan-2-ylidene)acetate
TL;DR: Ethyl cyano(1,3-dioxolan-2-ylidene)acetate (CAS 121020-70-0) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-cyano-2-(1,3-dioxolan-2-ylidene)acetate
Also Known As: ethyl 2-cyano-2-(1,3-dioxolan-2-ylidene)acetate, ethyl 2-cyano-2-(1,3-dioxolan-2-yliden)acetate, ethylcyanodioxolanylidenacetate, ACN-P000701, Ethyl cyano(1,3-dioxolan-2-ylidene)acetate
Technical Specifications
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.05316 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.05316 Da |
| Heavy Atoms | 13 |
| Complexity | 278.0 |
| SMILES | CCOC(=O)C(=C1OCCO1)C#N |
| InChIKey | UNOJLHONQPUKAQ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl cyano(1,3-dioxolan-2-ylidene)acetate
Property Insights of Ethyl cyano(1,3-dioxolan-2-ylidene)acetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl cyano(1,3-dioxolan-2-ylidene)acetate. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl cyano(1,3-dioxolan-2-ylidene)acetate. Following Lipinski's Rule of Five, Ethyl cyano(1,3-dioxolan-2-ylidene)acetate has 0 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 Ethyl cyano(1,3-dioxolan-2-ylidene)acetate?
The CAS number of Ethyl cyano(1,3-dioxolan-2-ylidene)acetate is 121020-70-0.
What is the molecular formula of Ethyl cyano(1,3-dioxolan-2-ylidene)acetate?
The molecular formula of Ethyl cyano(1,3-dioxolan-2-ylidene)acetate is C8H9NO4.
What is the molecular weight of Ethyl cyano(1,3-dioxolan-2-ylidene)acetate?
The molecular weight of Ethyl cyano(1,3-dioxolan-2-ylidene)acetate is 183.05316 g/mol.
Where can I buy Ethyl cyano(1,3-dioxolan-2-ylidene)acetate?
You can request a quote for Ethyl cyano(1,3-dioxolan-2-ylidene)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl cyano(1,3-dioxolan-2-ylidene)acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl cyano(1,3-dioxolan-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.