URO
Summary
| Name: | (2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID |
| Formula: | C6 H6 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 138.124 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-3-(1H-imidazol-4-yl)prop-2-enoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-(1H-imidazol-4-yl)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)\C=C\c1ncnc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)\C=C\c1c[nH]cn1 |
| SMILES | CACTVS | 3.341 | OC(=O)C=Cc1c[nH]cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(nc[nH]1)C=CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(nc[nH]1)C=CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+ |
| InChIKey | InChI | 1.03 | LOIYMIARKYCTBW-OWOJBTEDSA-N |
