3OC
Summary
| Name: | (1R)-3-oxocyclohexanecarboxylic acid |
| Formula: | C7 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 142.152 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R)-3-oxocyclohexanecarboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (1R)-3-oxocyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1CC(=O)CCC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@@H]1CCCC(=O)C1 |
| SMILES | CACTVS | 3.341 | OC(=O)[CH]1CCCC(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C[C@H](CC(=O)C1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(CC(=O)C1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h5H,1-4H2,(H,9,10)/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | WATQNARHYZXAGY-RXMQYKEDSA-N |
