Y9E
Summary
| Name: | 2-oxo-4-phenylbutanoic acid |
| Formula: | C10 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 178.185 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-oxo-4-phenylbutanoic acid |
| OpenEye OEToolkits | 2.0.7 | 2-oxidanylidene-4-phenyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(=O)CCc1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13) |
| InChIKey | InChI | 1.06 | PPKAIMDMNWBOKN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(=O)CCc1ccccc1 |
| SMILES | CACTVS | 3.385 | OC(=O)C(=O)CCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCC(=O)C(=O)O |
