DK6
Summary
| Name: | propane-1,1-diol |
| Formula: | C3 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 76.094 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | propane-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C3H8O2/c1-2-3(4)5/h3-5H,2H2,1H3 |
| InChIKey | InChI | 1.03 | ULWHHBHJGPPBCO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(O)O |
| SMILES | CACTVS | 3.385 | CCC(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(O)O |
