KTA
Summary
| Name: | (S)-CYCLOHEXANONE-2-ACETATE |
| Formula: | C8 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 156.179 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(1S)-3-oxocyclohexyl]acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[(1S)-3-oxocyclohexyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC1CC(=O)CCC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C[C@H]1CCCC(=O)C1 |
| SMILES | CACTVS | 3.341 | OC(=O)C[CH]1CCCC(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C[C@@H](CC(=O)C1)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(CC(=O)C1)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H12O3/c9-7-3-1-2-6(4-7)5-8(10)11/h6H,1-5H2,(H,10,11)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | RYTWPAUCABOYJP-LURJTMIESA-N |
