SJW
Summary
| Name: | 3-pyridin-3-ylpropanal |
| Formula: | C8 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 151.163 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-pyridin-3-ylpropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11) |
| InChIKey | InChI | 1.06 | WDGXIUUWINKTGP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1cccnc1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1cccnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)CCC(=O)O |
