OXQ
Summary
| Name: | 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID |
| Formula: | C3 H2 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 130.059 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1nonc1O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1nonc1O |
| SMILES | CACTVS | 3.341 | OC(=O)c1nonc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1(c(non1)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1(c(non1)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C3H2N2O4/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8) |
| InChIKey | InChI | 1.03 | IBRWUZLLHSXPKL-UHFFFAOYSA-N |
