HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloro-3-methyl-2-butenedioic acid
Identifiers & Physical Properties
| CAS No. | 149230-79-5 |
|---|---|
| Molecular formula | C5H5ClO4 |
| Average molar mass | 164.54 g/mol |
| Monoisotopic mass | 163.9876363 g/mol |
| SMILES | C/C(C(=O)O)=C(/Cl)C(=O)O |
| InChIKey | OBQOLJUAOGDIIZ-IHWYPQMZSA-N |
| PubChem CID | 5284491 |
| DTXSID | DTXSID5021542 |
Chemical & Physical Properties
| XLogP | 0.8 |
|---|---|
| Topological polar surface area | 74.6 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 206 |