HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4-Pentanedione, 3-(1-azulenylmethylene)-
Identifiers & Physical Properties
| CAS No. | 652142-23-9 |
|---|---|
| Molecular formula | C16H14O2 |
| Average molar mass | 238.28 g/mol |
| Monoisotopic mass | 238.09937969 g/mol |
| SMILES | CC(=O)C(=Cc1ccc2cccccc1-2)C(C)=O |
| InChIKey | ICVLDNMDNZZPDM-UHFFFAOYSA-N |
| PubChem CID | 11368404 |
| DTXSID | DTXSID00463772 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 34.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 351 |