HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4-Heptadiene
Identifiers & Physical Properties
| CAS No. | 31357-24-1 |
|---|---|
| Molecular formula | C7H12 |
| Average molar mass | 96.17 g/mol |
| Monoisotopic mass | 96.09390038 g/mol |
| SMILES | C/C=C/C=C/CC |
| InChIKey | XTJLXXCARCJVPJ-TWTPFVCWSA-N |
| PubChem CID | 5367544 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 2 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 68.1 |