HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,5-Anhydro-1,3-dideoxy-2-nonylpentitol
Identifiers & Physical Properties
| CAS No. | 29839-56-3 |
|---|---|
| Molecular formula | C14H28O2 |
| Average molar mass | 228.37 g/mol |
| Monoisotopic mass | 228.20893013 g/mol |
| SMILES | CCCCCCCCCC1(C)CC(O)CO1 |
| InChIKey | SJPBBWQRVUAZJB-UHFFFAOYSA-N |
| PubChem CID | 34713 |
| DTXSID | DTXSID60952273 |
Chemical & Physical Properties
| XLogP | 4.3 |
|---|---|
| Topological polar surface area | 29.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 8 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 182 |