HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,3-Butadiene-1,1,4-tricarboxylic acid
Identifiers & Physical Properties
| Molecular formula | C7H6O6 |
|---|---|
| Average molar mass | 186.12 g/mol |
| Monoisotopic mass | 186.01643791 g/mol |
| SMILES | O=C(O)C=CC=C(C(=O)O)C(=O)O |
| InChIKey | SLUDRBHRUDRZJZ-UHFFFAOYSA-N |
| PubChem CID | 32 |
| DTXSID | DTXSID301344311 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 112 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 4 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 282 |