UP8
Summary
| Name: | 3-AMINOBENZENE-1,2-DICARBOXYLIC ACID |
| Formula: | C8 H7 N O4 |
| Formal charge: | 0 |
| Formula weight: | 181.145 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 3-azanylphthalic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.03 | WGLQHUKCXBXUDV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(C(O)=O)c1C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1cccc(C(O)=O)c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)N)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)N)C(=O)O)C(=O)O |
