VDI
Summary
| Name: | 1-(4-chlorophenyl)cyclobutane-1-carboxylic acid |
| Formula: | C11 H11 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 210.657 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(4-chlorophenyl)cyclobutane-1-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 1-(4-chlorophenyl)cyclobutane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)C1(CCC1)c1ccc(Cl)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H11ClO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14) |
| InChIKey | InChI | 1.06 | XYSRHOKREWGGFE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1(CCC1)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)C1(CCC1)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2(CCC2)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2(CCC2)C(=O)O)Cl |
