BA9
Summary
| Name: | propane-2,2-diol |
| Formula: | C3 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 76.094 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | propane-2,2-diol |
| OpenEye OEToolkits | 2.0.6 | propane-2,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(C)(O)C |
| InChI | InChI | 1.03 | InChI=1S/C3H8O2/c1-3(2,4)5/h4-5H,1-2H3 |
| InChIKey | InChI | 1.03 | CIBMHJPPKCXONB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)O |
| SMILES | CACTVS | 3.385 | CC(C)(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(O)O |
