U6W
Summary
| Name: | 5-methyl-3~{H}-furan-2-one |
| Synonyms: | alpha-angelica lactone |
| Formula: | C5 H6 O2 |
| Formal charge: | 0 |
| Formula weight: | 98.1 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-3~{H}-furan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3 |
| InChIKey | InChI | 1.03 | QOTQFLOTGBBMEX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CCC(=O)O1 |
| SMILES | CACTVS | 3.385 | CC1=CCC(=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CCC(=O)O1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CCC(=O)O1 |
