81P
Summary
| Name: | 4-(methylamino)benzoic acid |
| Formula: | C8 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 151.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(methylamino)benzoic acid |
| OpenEye OEToolkits | 2.0.6 | 4-(methylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNc1ccc(cc1)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11) |
| InChIKey | InChI | 1.03 | ZVIDMSBTYRSMAR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CNc1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNc1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNc1ccc(cc1)C(=O)O |
