VBC
Summary
| Name: | 3-(4-aminophenyl)benzoic acid |
| Formula: | C13 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 213.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(4-aminophenyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H11NO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,14H2,(H,15,16) |
| InChIKey | InChI | 1.03 | AZMVFOPKHNNXDO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1)c2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1)c2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)c2ccc(cc2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)c2ccc(cc2)N |
