GAG
Summary
| Name: | 3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID |
| Formula: | C4 H3 N O4 |
| Formal charge: | 0 |
| Formula weight: | 129.071 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-hydroxyisoxazole-4-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 3-hydroxy-1,2-oxazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1conc1O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1conc1O |
| SMILES | CACTVS | 3.341 | OC(=O)c1conc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(c(no1)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(c(no1)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H3NO4/c6-3-2(4(7)8)1-9-5-3/h1H,(H,5,6)(H,7,8) |
| InChIKey | InChI | 1.03 | JLPHBZYAQYOJND-UHFFFAOYSA-N |
