5OO
Summary
| Name: | (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid |
| Formula: | C9 H6 Cl2 O2 |
| Formal charge: | 0 |
| Formula weight: | 217.049 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H6Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+ |
| InChIKey | InChI | 1.03 | MEBWABJHRAYGFW-DUXPYHPUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)/C=C/c1ccc(Cl)cc1Cl |
| SMILES | CACTVS | 3.385 | OC(=O)C=Cc1ccc(Cl)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(c(cc1Cl)Cl)/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(c(cc1Cl)Cl)C=CC(=O)O |
