4-Hydroxy-2,5-Dimethylfuran-3-One
Representations & DB's id
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| ChEBI: | CHEBI:76247 | |
|---|---|---|
| ChEMBL: | CHEMBL3186302 | |
| PubChem: | 19309 | |
| IUPAC: | 4-hydroxy-2,5-dimethylfuran-3-one | |
| Standard InChI: | InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3 | |
| Standard InChI Key: | INAXVXBDKKUCGI-UHFFFAOYSA-N | |
| SMILES: | CC1OC(=C(C1=O)O)C | |
Molecular propeties
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| AlogP: | 0.76 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 1 | |
| Molecular Weight: | 128.05 | |
| Topological polar surface area: | 46.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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