W4U
Summary
| Name: | 1-(4-chlorophenyl)cyclopentane-1-carboxylic acid |
| Formula: | C12 H13 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 224.683 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(4-chlorophenyl)cyclopentane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H13ClO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15) |
| InChIKey | InChI | 1.06 | QJNFJEMGWIQMJT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1(CCCC1)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)C1(CCCC1)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2(CCCC2)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2(CCCC2)C(=O)O)Cl |
