3-cyanophenol
- CAS:
- Other names:
- SMILES: Oc1cccc(c1)C#N
Properties
MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
---|---|---|---|---|---|---|---|---|
119.12 | 2 | 1 | 1.26 | 44.019999999999996 | 0 | 27 | 0.00 | C7H5NO |
Availability
Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
---|---|---|---|---|---|---|
JN_52 | None | Jan. 1, 2023 |
Bar codes
Plate barcode | Sample barcode |
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PAINS
Identified PAINS |
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Not checked |
Supramolecules
Name | log K | SD | pH | T(°C) | Method | Ref |
---|---|---|---|---|---|---|
[a-Cyclodextrin](1).[3-cyanophenol] | 2.04 | 1.48 | 3.05 | 25.0 | absorption spectroscopy, NMR | Sanyo Hamai 1997 |
[b-Cyclodextrin](1).[3-cyanophenol] | 1.56 | 1.30 | 3.05 | 25.0 | absorption spectroscopy, NMR | Sanyo Hamai 1997 |