MW7
Summary
| Name: | 4-ethenylbenzoic acid |
| Formula: | C9 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 148.159 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-ethenylbenzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-ethenylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=[C@H]c1ccc(cc1)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H8O2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2,(H,10,11) |
| InChIKey | InChI | 1.03 | IRQWEODKXLDORP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(C=C)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(C=C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=Cc1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=Cc1ccc(cc1)C(=O)O |
