HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Methylnon-3-enoic acid
Identifiers & Physical Properties
| CAS No. | 61271-90-7 |
|---|---|
| Molecular formula | C10H18O2 |
| Average molar mass | 170.25 g/mol |
| Monoisotopic mass | 170.13067981 g/mol |
| SMILES | CCCCCC(C)=CCC(=O)O |
| InChIKey | QQZVHSKDJXHMBX-UHFFFAOYSA-N |
| PubChem CID | 54242513 |
| DTXSID | DTXSID90709999 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 6 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 159 |