vanillin
- CAS:
- Other names:
- SMILES: COc1cc(C=O)ccc1O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 152.15 | 3 | 1 | 1.21 | 46.53 | 2 | 38 | 0.13 | C8H8O3 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C1332 | 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).[vanillin] | 4.05 | 3.26 | 7.0 | 20.0 | NMR spectroscopy | Soundar Divakar 1990 |