XIZ
Summary
| Name: | (E)-PYRIDIN-4-YL-ACRYLIC ACID |
| Synonyms: | (2E)-3-PYRIDIN-4-YLPROP-2-ENOIC ACID |
| Formula: | C8 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 149.147 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-3-pyridin-4-ylprop-2-enoic acid |
| OpenEye OEToolkits | 1.6.1 | (E)-3-pyridin-4-ylprop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)\C=C\c1ccncc1 |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)\C=C\c1ccncc1 |
| SMILES | CACTVS | 3.352 | OC(=O)C=Cc1ccncc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cnccc1\C=C\C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cnccc1C=CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)/b2-1+ |
| InChIKey | InChI | 1.03 | SSAYTINUCCRGDR-OWOJBTEDSA-N |
