DK9
Summary
| Name: | pentane-1,1-diol |
| Formula: | C5 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 104.148 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | pentane-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H12O2/c1-2-3-4-5(6)7/h5-7H,2-4H2,1H3 |
| InChIKey | InChI | 1.03 | UWJJYHHHVWZFEP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC(O)O |
| SMILES | CACTVS | 3.385 | CCCCC(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(O)O |
