8ZU
Summary
| Name: | 4-propylbenzoic acid |
| Formula: | C10 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 164.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-propylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | ATZHGRNFEFVDDJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCc1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCc1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCc1ccc(cc1)C(=O)O |
