HuagongsheHuagongshe Chemistry Print Report · For research reference only
5'-Methylangelicin
Identifiers & Physical Properties
| CAS No. | 15798-77-3 |
|---|---|
| Molecular formula | C12H8O3 |
| Average molar mass | 200.19 g/mol |
| Monoisotopic mass | 200.04734411 g/mol |
| SMILES | Cc1cc2c(ccc3ccc(=O)oc32)o1 |
| InChIKey | VVZYOVZUPIFCCR-UHFFFAOYSA-N |
| PubChem CID | 85113 |
| ChEMBL | CHEMBL352860 |
| DTXSID | DTXSID90877066 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 39.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 310 |
| LogP (partition coefficient) | 2.49 |