UKE
Summary
| Name: | 5-methoxy-1,3-benzoxazole-2-carboxylic acid |
| Synonyms: | 5-Methoxybenzo[d]oxazole-2-carboxylic acid |
| Formula: | C9 H7 N O4 |
| Formal charge: | 0 |
| Formula weight: | 193.156 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-methoxy-1,3-benzoxazole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | SNQUKJWKYRHONV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2oc(nc2c1)C(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccc2oc(nc2c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)nc(o2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)nc(o2)C(=O)O |
