YVR
Summary
| Name: | gamma-Valerolactone |
| Formula: | C5 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 100.116 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (5~{S})-5-methyloxolan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | GAEKPEKOJKCEMS-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCC(=O)O1 |
| SMILES | CACTVS | 3.385 | C[CH]1CCC(=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]1CCC(=O)O1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1CCC(=O)O1 |
