A1IDH
Summary
| Name: | 3-[1-(2-oxidanylideneethyl)-1,2,3-triazol-4-yl]propanal |
| Formula: | C7 H9 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 199.164 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[1-(2-hydroxy-2-oxoethyl)-1,2,3-triazol-4-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H9N3O4/c11-6(12)2-1-5-3-10(9-8-5)4-7(13)14/h3H,1-2,4H2,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.06 | RUQZPAOIZOWHEV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1cn(CC(O)=O)nn1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1cn(CC(O)=O)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(nnn1CC(=O)O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(nnn1CC(=O)O)CCC(=O)O |
