Showing Metabocard for 4-hydroxy-2,5-dimethyl-furan-3(2H)-one (BASm0005824)
| Common Name | 4-hydroxy-2,5-dimethyl-furan-3(2h)-one |
|---|---|
| Description | (±)-Furaneol is found in animal foods. (±)-Furaneol is a flavouring agent. |
| Structure | |
| Molecular Formula | C6H8O3 |
| Average Mass | 128.12590 |
| Monoisotopic Mass | 128.04734 |
| IUPAC Name | 4-hydroxy-2,5-dimethyl-2,3-dihydrofuran-3-one |
| Traditional Name | Furaneol |
| CAS Registry Number | Not Available |
| SMILES | CC1=C(O)C(=O)C(C)O1 |
| InChI Identifier | InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3 |
| InChI Key | INAXVXBDKKUCGI-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:76247 |
| HMDB ID | HMDB0040594 |
| State | Not Available |
| Water Solubility | 4.46e+02 g/l |
| logP | -0.33 |
| logS | 0.54 |
| pKa (Strongest Acidic) | 7.09 |
| pKa (Strongest Basic) | -4.33 |
| Hydrogen Acceptor Count | 3 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 46.53 Ų |
| Rotatable Bond Count | 0 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 33.29 m³·mol⁻¹ |
| Polarizability | 12.48 |