benzoic acid-d5
- CAS:
- Other names:
- SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)O)[2H])[2H]
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 127.15 | 7 | 1 | 1.38 | 37.3 | 1 | 25 | 0.00 | C7HD5O2 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C1543 | 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 |
|---|---|---|---|---|---|---|
| [mono-(6-amino-6-deoxy)-b-CD](1).[benzoic acid-d5 ] | 1.84 | 0.30 | 6.9 | 25.0 | Titration Calorimetry | Yoshihisa Inoue 2002 |