HX1
Summary
| Name: | 4-butylbenzoic acid |
| Formula: | C11 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 178.228 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-butylbenzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-butylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(CCCC)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.06 | JFKUBRAOUZEZSL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCc1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCc1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCc1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCc1ccc(cc1)C(=O)O |
