benzoic acid
- CAS:
- Other names:
- SMILES: OC(=O)c1ccccc1
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 122.12 | 2 | 1 | 1.38 | 37.3 | 1 | 25 | 0.00 | C7H6O2 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C104 | 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 |
|---|---|---|---|---|---|---|
| [Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[benzoic acid] | 1.62 | 1.15 | SPR experiments | Michael J. Sepaniak 2003 | ||
| [Heptakis(6-O-tert-butyldimethylsilyl-2,3-di-O-acetyl)-b-CD](1).[benzoic acid] | 0.85 | 0.30 | SPR experiments | Michael J. Sepaniak 2003 | ||