VAJ
Summary
| Name: | [1,1'-biphenyl]-3,4'-dicarboxylic acid |
| Formula: | C14 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 242.227 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [1,1'-biphenyl]-3,4'-dicarboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 3-(4-carboxyphenyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(ccc(c1cc(ccc1)C(=O)O)cc2)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H10O4/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H,15,16)(H,17,18) |
| InChIKey | InChI | 1.03 | GSYIVQLTSZFJRV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O |
