PGO
Summary
| Name: | S-1,2-PROPANEDIOL |
| Formula: | C3 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 76.094 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-propane-1,2-diol |
| OpenEye OEToolkits | 1.5.0 | (2S)-propane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCC(O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](O)CO |
| SMILES | CACTVS | 3.341 | C[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CO)O |
| InChI | InChI | 1.03 | InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | DNIAPMSPPWPWGF-VKHMYHEASA-N |
