LVK
Summary
| Name: | 4-propanoylbenzoic acid |
| Formula: | C10 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 178.185 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-propanoylbenzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-propanoylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)c1ccc(cc1)C(=O)CC |
| InChI | InChI | 1.03 | InChI=1S/C10H10O3/c1-2-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | MQZBJHMHKZVYHB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)c1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CCC(=O)c1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)c1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)c1ccc(cc1)C(=O)O |
