6H6
Summary
| Name: | 3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid |
| Formula: | C10 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 207.183 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoate |
| OpenEye OEToolkits | 1.7.6 | 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-]C(=O)CCN1c2ccccc2OC1=O |
| InChI | InChI | 1.03 | InChI=1S/C10H9NO4/c12-9(13)5-6-11-7-3-1-2-4-8(7)15-10(11)14/h1-4H,5-6H2,(H,12,13)/p-1 |
| InChIKey | InChI | 1.03 | BMLRDVCKJXMASM-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CCN1C(=O)Oc2ccccc12 |
| SMILES | CACTVS | 3.370 | OC(=O)CCN1C(=O)Oc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)N(C(=O)O2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)N(C(=O)O2)CCC(=O)O |
