6F5
Summary
| Name: | 6-methylheptanoic acid |
| Formula: | C8 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 144.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 6-methylheptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10) |
| InChIKey | InChI | 1.03 | OEOIWYCWCDBOPA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(C)CCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC(C)CCCCC(=O)O |
