3-Hydroxybutan-2-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3561873 | |
| PubChem: | 179 | |
| IUPAC: | 3-hydroxybutan-2-one | |
| Standard InChI: | InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3 | |
| Standard InChI Key: | ROWKJAVDOGWPAT-UHFFFAOYSA-N | |
| SMILES: | CC(=O)C(O)C | |
Molecular propeties
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| AlogP: | -0.04 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 0 | |
| Molecular Weight: | 88.05 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.75 | |
| Number of carbons: | 4 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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