acetovanillone
- CAS:
- Other names: Ace
- SMILES: COc1cc(ccc1O)C(C)=O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 166.17 | 3 | 1 | 1.60 | 46.53 | 2 | 46 | 0.22 | C9H10O3 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C676 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [b-Cyclodextrin](1).[acetovanillone] | 2.97 | 7.0 | 25.0 | isothermal titration calorimetry | De-Zhi Sun 2006 | |