HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Acetyl-4-isopropoxybenzoic acid
3-acetyl-4-isopropoxybenzoic acid · Benzoic acid, 3-acetyl-4-(1-methylethoxy)-
Identifiers & Physical Properties
| CAS No. | 252901-49-8 |
|---|---|
| Molecular formula | C12H14O4 |
| Average molar mass | 222.24 g/mol |
| SMILES | CC(=O)c1cc(C(=O)O)ccc1OC(C)C |
| InChIKey | BUIHXCCPDBHYJZ-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 63.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 272 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
Safety & Regulations
| Signal word | Warning |
|---|---|
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
Applications & Uses
Uses
3-Acetyl-4-isopropoxybenzoic Acid can be used as antiinflammatory and immunosuppresive agents.