HuagongsheHuagongshe Chemistry Print Report · For research reference only
tert-Butyl maleic acid
(Z)-2-tert-butylbut-2-enedioic acid
Identifiers & Physical Properties
| CAS No. | 18305-61-8 |
|---|---|
| Molecular formula | C8H12O4 |
| Average molar mass | 172.18 g/mol |
| Monoisotopic mass | 172.07355886 g/mol |
| SMILES | CC(C)(C)/C(=C/C(=O)O)C(=O)O |
| InChIKey | VZVNPHQRMOLXML-SNAWJCMRSA-N |
| PubChem CID | 5284487 |
| DTXSID | DTXSID2021521 |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 74.6 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 232 |