TYZ
Summary
| Name: | PARA ACETAMIDO BENZOIC ACID |
| Formula: | C9 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 179.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(acetylamino)benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-acetamidobenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1ccc(cc1)C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)Nc1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)Nc1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1ccc(cc1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.03 | QCXJEYYXVJIFCE-UHFFFAOYSA-N |
