5R0
Summary
| Name: | 4-~{tert}-butylbenzoic acid |
| Formula: | C11 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 178.228 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 4-tert-butylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13) |
| InChIKey | InChI | 1.03 | KDVYCTOWXSLNNI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1ccc(cc1)C(=O)O |
