HTX
Summary
| Name: | heptan-2-one |
| Synonyms: | 2-heptanone |
| Formula: | C7 H14 O |
| Formal charge: | 0 |
| Formula weight: | 114.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | heptan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CCCCCC(C)=O |
| SMILES | CACTVS | 3.352 | CCCCCC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCCC(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCCCC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 |
| InChIKey | InChI | 1.03 | CATSNJVOTSVZJV-UHFFFAOYSA-N |
