HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4-Hexadienedioic acid, (2Z,4Z)-
Identifiers & Physical Properties
| CAS No. | 505-70-4 |
|---|---|
| Molecular formula | C6H6O4 |
| Average molar mass | 142.11 g/mol |
| Monoisotopic mass | 142.02660867 g/mol |
| SMILES | O=C(O)C=CC=CC(=O)O |
| InChIKey | TXXHDPDFNKHHGW-UHFFFAOYSA-N |
| PubChem CID | 310 |
| DTXSID | DTXSID8049674 |
Chemical & Physical Properties
| XLogP | 0.2 |
|---|---|
| Topological polar surface area | 74.6 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 168 |