56D
Summary
| Name: | (3R)-2-oxo-3-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 | (3R)-2-oxo-3-phenylbutanoic acid |
| OpenEye OEToolkits | 1.7.6 | (3R)-2-oxidanylidene-3-phenyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(=O)C(c1ccccc1)C |
| InChI | InChI | 1.03 | InChI=1S/C10H10O3/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | AXLLOSUYAVXOIN-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](c1ccccc1)C(=O)C(O)=O |
| SMILES | CACTVS | 3.370 | C[CH](c1ccccc1)C(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](c1ccccc1)C(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(c1ccccc1)C(=O)C(=O)O |
