HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4-Hexadienedioicacid, 2-amino-
Identifiers & Physical Properties
| CAS No. | 4548-99-6 |
|---|---|
| Molecular formula | C6H7NO4 |
| Average molar mass | 157.12 g/mol |
| Monoisotopic mass | 157.0375077 g/mol |
| SMILES | NC(=CC=CC(=O)O)C(=O)O |
| InChIKey | ZRHONLCTYUYMIQ-UHFFFAOYSA-N |
| PubChem CID | 28 |
| DTXSID | DTXSID70274256 |
Chemical & Physical Properties
| XLogP | -0.3 |
|---|---|
| Topological polar surface area | 101 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 229 |