DKL
Summary
| Name: | heptane-1,1-diol |
| Formula: | C7 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 132.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | heptane-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H16O2/c1-2-3-4-5-6-7(8)9/h7-9H,2-6H2,1H3 |
| InChIKey | InChI | 1.03 | MHIBEGOZTWERHF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCC(O)O |
| SMILES | CACTVS | 3.385 | CCCCCCC(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCC(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCC(O)O |
