hexanoic acid
- CAS:
- Other names:
- SMILES: CCCCCC(O)=O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 116.16 | 2 | 1 | 1.65 | 37.3 | 4 | 18 | 0.83 | C6H12O2 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C1419 | 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 |
|---|---|---|---|---|---|---|
| [a-Cyclodextrin](1).[hexanoic acid] | 2.96 | 1.41 | 1.3 | 25.0 | Calorimetry | Giuseppina Castronuovo 1998 |
| [a-Cyclodextrin](1).[hexanoic acid] | 2.71 | 1.73 | 11.3 | 25.0 | Calorimetry | Giuseppina Castronuovo 1998 |
| [a-Cyclodextrin](1).[hexanoic acid] | 5.71 | 4.73 | 11.3 | 25.0 | calorimetry | Giuseppina Castronuovo 1996 |