XJW
Summary
| Name: | 4-[(~{Z})-1-cyanoprop-1-enyl]benzoic acid |
| Formula: | C11 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 187.195 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{Z})-1-cyanoprop-1-enyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H9NO2/c1-2-8(7-12)9-3-5-10(6-4-9)11(13)14/h2-6H,1H3,(H,13,14) |
| InChIKey | InChI | 1.06 | GUHJZZXROZYLFH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C=C(/C#N)c1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC=C(C#N)c1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C=C(\C#N)/c1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC=C(C#N)c1ccc(cc1)C(=O)O |
