HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,2-Bis(4,4-dimethyl-2,6-dioxocyclohexyl)acetic acid
Identifiers & Physical Properties
| CAS No. | 40105-35-9 |
|---|---|
| Molecular formula | C18H24O6 |
| Average molar mass | 336.4 g/mol |
| Monoisotopic mass | 336.15728848 g/mol |
| SMILES | CC1(C)CC(=O)C(C(C(=O)O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 |
| InChIKey | YOYWZNXNCGWXPW-UHFFFAOYSA-N |
| PubChem CID | 4635698 |
| DTXSID | DTXSID001132824 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 106 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 3 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 539 |