EH1
Summary
| Name: | 4-cyclohexylbenzoic acid |
| Formula: | C13 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 204.265 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-cyclohexylbenzoic acid |
| OpenEye OEToolkits | 2.0.6 | 4-cyclohexylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(CCCCC1)c2ccc(C(=O)O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15) |
| InChIKey | InChI | 1.03 | QCIWHVKGVVQHIY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C2CCCCC2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C2CCCCC2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C2CCCCC2)C(=O)O |
