PPY
Summary
| Name: | 3-PHENYLPYRUVIC ACID |
| Formula: | C9 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 164.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-oxo-3-phenylpropanoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-oxo-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C(=O)O)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=O)Cc1ccccc1 |
| SMILES | CACTVS | 3.341 | OC(=O)C(=O)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12) |
| InChIKey | InChI | 1.03 | BTNMPGBKDVTSJY-UHFFFAOYSA-N |
