4XX
Summary
| Name: | 4-hydroxy-5-methylfuran-3(2H)-one |
| Formula: | C5 H6 O3 |
| Formal charge: | 0 |
| Formula weight: | 114.099 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-hydroxy-5-methylfuran-3(2H)-one |
| OpenEye OEToolkits | 1.7.6 | 5-methyl-4-oxidanyl-furan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(O)=C(OC1)C |
| InChI | InChI | 1.03 | InChI=1S/C5H6O3/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3 |
| InChIKey | InChI | 1.03 | DLVYTANECMRFGX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1=C(O)C(=O)CO1 |
| SMILES | CACTVS | 3.370 | CC1=C(O)C(=O)CO1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=C(C(=O)CO1)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=C(C(=O)CO1)O |
