3XX
Summary
| Name: | (2E)-2-ethylidene-4-hydroxy-5-methylfuran-3(2H)-one |
| Formula: | C7 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 140.137 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-2-ethylidene-4-hydroxy-5-methylfuran-3(2H)-one |
| OpenEye OEToolkits | 1.7.6 | (2E)-2-ethylidene-5-methyl-4-oxidanyl-furan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(\OC(=C1O)C)=C/C |
| InChI | InChI | 1.03 | InChI=1S/C7H8O3/c1-3-5-7(9)6(8)4(2)10-5/h3,8H,1-2H3/b5-3+ |
| InChIKey | InChI | 1.03 | CWXWDRXNERDGHE-HWKANZROSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C\C=C/1OC(=C(O)C/1=O)C |
| SMILES | CACTVS | 3.370 | CC=C1OC(=C(O)C1=O)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C=C/1\C(=O)C(=C(O1)C)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC=C1C(=O)C(=C(O1)C)O |
