O8Y
Summary
| Name: | hexanal |
| Formula: | C6 H12 O |
| Formal charge: | 0 |
| Formula weight: | 100.159 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | hexanal |
| OpenEye OEToolkits | 2.0.7 | hexanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CC=O)CCC |
| InChI | InChI | 1.03 | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3 |
| InChIKey | InChI | 1.03 | JARKCYVAAOWBJS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC=O |
| SMILES | CACTVS | 3.385 | CCCCCC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCC=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCC=O |
