J1K
Summary
| Name: | 4-(2-hydroxyethylcarbamoyl)benzoic acid |
| Formula: | C10 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 209.199 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-(2-hydroxyethylcarbamoyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO4/c12-6-5-11-9(13)7-1-3-8(4-2-7)10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15) |
| InChIKey | InChI | 1.03 | HGTVOBHNUAVYMK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCNC(=O)c1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | OCCNC(=O)c1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=O)NCCO)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=O)NCCO)C(=O)O |
