HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(3-Methylbut-2-en-1-yl)-1H-2-benzopyran-1,3(4H)-dione
Identifiers & Physical Properties
| CAS No. | 61665-51-8 |
|---|---|
| Molecular formula | C14H14O3 |
| Average molar mass | 230.26 g/mol |
| Monoisotopic mass | 230.0942943 g/mol |
| SMILES | CC(C)=CCC1C(=O)OC(=O)c2ccccc21 |
| InChIKey | YDPMTLBAOZUIEX-UHFFFAOYSA-N |
| PubChem CID | 12378567 |
| DTXSID | DTXSID70495287 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 43.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 352 |