HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione
Identifiers & Physical Properties
| CAS No. | 86213-22-1 |
|---|---|
| Molecular formula | C14H16O4 |
| Average molar mass | 248.27 g/mol |
| Monoisotopic mass | 248.10485899 g/mol |
| SMILES | COc1ccc(C=C(C(C)=O)C(C)=O)cc1OC |
| InChIKey | YTCOSZAOXSXWEG-UHFFFAOYSA-N |
| PubChem CID | 1237990 |
| ChEMBL | CHEMBL1542873 |
| DTXSID | DTXSID80361262 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 52.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 330 |