HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Ethoxyethyl acetoacetate
Ai3-06509 · Einecs 230-160-9 · 2-ethoxyethyl acetoacetate · 3-Oxobutyric acid 2-ethoxyethyl ester · Butanoic acid, 3-oxo-, 2-ethoxyethyl ester
Identifiers & Physical Properties
| CAS No. | 6963-40-2 |
|---|---|
| Molecular formula | C8H14O4 |
| Average molar mass | 174.19 g/mol |
| Monoisotopic mass | 174.08920893 g/mol |
| SMILES | CCOCCOC(=O)CC(C)=O |
| InChIKey | JKUOURUUCRHADD-UHFFFAOYSA-N |
| PubChem CID | 81413 |
| EC No. | 230-160-9 |
| DTXSID | DTXSID90989739 |
Chemical & Physical Properties
| XLogP | 0.1 |
|---|---|
| Topological polar surface area | 52.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 7 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 153 |
| LogP (partition coefficient) | 0.218 (est) |