HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethylacetoacetate,2-methylbenzal

Identifiers & Physical Properties
| Molecular formula | C14H16O3 |
|---|---|
| Average molar mass | 232.27 g/mol |
| Monoisotopic mass | 232.10994437 g/mol |
| SMILES | CCOC(=O)/C(=C/c1ccccc1C)C(C)=O |
| InChIKey | QPBXBFOCVMDKIL-UKTHLTGXSA-N |
| PubChem CID | 12377934 |
| DTXSID | DTXSID80877550 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 43.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 317 |