HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Nitrotricyclo(3.3.1.13,7)decane-1-carboxylic acid
1-Nitro-3-adamantanecarboxylic acid · 3-nitroadamantane-1-carboxylic acid · Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-nitro-
Identifiers & Physical Properties
| CAS No. | 42711-76-2 |
|---|---|
| Molecular formula | C11H15NO4 |
| Average molar mass | 225.24 g/mol |
| Monoisotopic mass | 225.10010796 g/mol |
| SMILES | O=C(O)C12CC3CC(C1)CC([N+](=O)[O-])(C3)C2 |
| InChIKey | VSRRAGQUKPLYMV-UHFFFAOYSA-N |
| PubChem CID | 39239 |
| DTXSID | DTXSID00962639 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 83.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 359 |