VTY
Summary
| Name: | (5S)-5-hydroxy-3-methylfuran-2(5H)-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 | (5S)-5-hydroxy-3-methylfuran-2(5H)-one |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-4-methyl-2-oxidanyl-2~{H}-furan-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1=CC(OC1=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,4,6H,1H3/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | HQIZYPQNJWENRT-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C[C@@H](O)OC1=O |
| SMILES | CACTVS | 3.385 | CC1=C[CH](O)OC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C[C@H](OC1=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(OC1=O)O |
