6NA
Summary
| Name: | HEXANOIC ACID |
| Formula: | C6 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 116.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | hexanoic acid |
| OpenEye OEToolkits | 1.5.0 | hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCC(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) |
| InChIKey | InChI | 1.03 | FUZZWVXGSFPDMH-UHFFFAOYSA-N |
