1XX
Summary
| Name: | (2R)-4-hydroxy-2,5-dimethylfuran-3(2H)-one |
| Formula: | C6 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 128.126 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-4-hydroxy-2,5-dimethylfuran-3(2H)-one |
| OpenEye OEToolkits | 1.7.6 | (2R)-2,5-dimethyl-4-oxidanyl-furan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(O)=C(OC1C)C |
| InChI | InChI | 1.03 | InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | INAXVXBDKKUCGI-GSVOUGTGSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H]1OC(=C(O)C1=O)C |
| SMILES | CACTVS | 3.370 | C[CH]1OC(=C(O)C1=O)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1C(=O)C(=C(O1)C)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(=O)C(=C(O1)C)O |
