HuagongsheHuagongshe Chemistry Print Report · For research reference only
Nicotinic acid, 2-(1-adamantyl)ethyl ester
Identifiers & Physical Properties
| CAS No. | 64140-39-2 |
|---|---|
| Molecular formula | C18H23NO2 |
| Average molar mass | 285.4 g/mol |
| Monoisotopic mass | 285.17287898 g/mol |
| SMILES | O=C(OCCC12CC3CC(CC(C3)C1)C2)c1cccnc1 |
| InChIKey | AVSOLGBUADYZAD-UHFFFAOYSA-N |
| PubChem CID | 64458 |
| DTXSID | DTXSID80214345 |
Chemical & Physical Properties
| XLogP | 4.9 |
|---|---|
| Topological polar surface area | 39.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 365 |