PDO
Summary
| Name: | 1,3-PROPANDIOL |
| Formula: | C3 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 76.094 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | propane-1,3-diol |
| OpenEye OEToolkits | 1.6.1 | propane-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | OCCCO |
| SMILES_CANONICAL | CACTVS | 3.352 | OCCCO |
| SMILES | CACTVS | 3.352 | OCCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(CO)CO |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(CO)CO |
| InChI | InChI | 1.03 | InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2 |
| InChIKey | InChI | 1.03 | YPFDHNVEDLHUCE-UHFFFAOYSA-N |
