VTW
Summary
| Name: | 3-phenyl-1,2-oxazole-5-carboxylic acid |
| Formula: | C10 H7 N O3 |
| Formal charge: | 0 |
| Formula weight: | 189.167 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-phenyl-1,2-oxazole-5-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 3-phenyl-1,2-oxazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(no1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H7NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13) |
| InChIKey | InChI | 1.06 | YGTFDJRCCBKLDM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1onc(c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1onc(c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(on2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(on2)C(=O)O |
