12T
Summary
| Name: | 2-aminobenzene-1,4-dicarboxylic acid |
| Formula: | C8 H7 N O4 |
| Formal charge: | 0 |
| Formula weight: | 181.145 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-aminobenzene-1,4-dicarboxylic acid |
| OpenEye OEToolkits | 1.7.0 | 2-azanylterephthalic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(N)c(C(=O)O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1cc(ccc1C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | Nc1cc(ccc1C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1C(=O)O)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.03 | GPNNOCMCNFXRAO-UHFFFAOYSA-N |
