HuagongsheHuagongshe Chemistry Print Report · For research reference only
ACMC-20apjz
Identifiers & Physical Properties
| CAS No. | 22099-78-1 |
|---|---|
| Molecular formula | C12H18O4 |
| Average molar mass | 226.27 g/mol |
| Monoisotopic mass | 226.12050906 g/mol |
| SMILES | O=C(O)CCCCCCC1=CC(O)CC1=O |
| InChIKey | IXOFUWJRSYPKSX-UHFFFAOYSA-N |
| PubChem CID | 3690897 |
| DTXSID | DTXSID80395103 |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 74.6 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 7 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 293 |