HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(3-Methylbutyl)-1H-2-benzopyran-1,3(4H)-dione
Identifiers & Physical Properties
| CAS No. | 61665-52-9 |
|---|---|
| Molecular formula | C14H16O3 |
| Average molar mass | 232.27 g/mol |
| Monoisotopic mass | 232.10994437 g/mol |
| SMILES | CC(C)CCC1C(=O)OC(=O)c2ccccc21 |
| InChIKey | MZMRHDWXZAEVLF-UHFFFAOYSA-N |
| PubChem CID | 12378569 |
| DTXSID | DTXSID30495288 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 43.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 309 |