BFL
Summary
| Name: | 2-(1,1'-BIPHENYL-4-YL)PROPANOIC ACID |
| Formula: | C15 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 226.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-biphenyl-4-ylpropanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-(4-phenylphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(c2ccc(c1ccccc1)cc2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](C(O)=O)c1ccc(cc1)c2ccccc2 |
| SMILES | CACTVS | 3.341 | C[CH](C(O)=O)c1ccc(cc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](c1ccc(cc1)c2ccccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(c1ccc(cc1)c2ccccc2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | JALUUBQFLPUJMY-NSHDSACASA-N |
