0YF
Summary
| Name: | 3-(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 | 12.01 | 3-(biphenyl-4-yl)propanoic acid |
| OpenEye OEToolkits | 1.7.6 | 3-(4-phenylphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCc1ccc(cc1)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H14O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,16,17) |
| InChIKey | InChI | 1.03 | MVFHRQWYCXYYMU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CCc1ccc(cc1)c2ccccc2 |
| SMILES | CACTVS | 3.370 | OC(=O)CCc1ccc(cc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2ccc(cc2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2ccc(cc2)CCC(=O)O |
