DFA
Summary
| Name: | DIPHENYLACETIC ACID |
| Formula: | C14 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 212.244 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | diphenylacetic acid |
| OpenEye OEToolkits | 1.5.0 | 2,2-diphenylethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(c1ccccc1)c2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(c1ccccc1)c2ccccc2 |
| SMILES | CACTVS | 3.341 | OC(=O)C(c1ccccc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(c2ccccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(c2ccccc2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16) |
| InChIKey | InChI | 1.03 | PYHXGXCGESYPCW-UHFFFAOYSA-N |
