0RE
Summary
| Name: | (2S)-hexane-1,2-diol |
| Formula: | C6 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 118.174 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-hexane-1,2-diol |
| OpenEye OEToolkits | 1.7.6 | (2S)-hexane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC(O)CCCC |
| InChI | InChI | 1.03 | InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | FHKSXSQHXQEMOK-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCC[C@H](O)CO |
| SMILES | CACTVS | 3.370 | CCCC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCC[C@@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCC(CO)O |
