XI7
Summary
| Name: | 2-4-DIOXO-4-PHENYLBUTANOIC ACID |
| Formula: | C10 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 192.168 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,4-dioxo-4-phenylbutanoic acid |
| OpenEye OEToolkits | 1.6.1 | 2,4-dioxo-4-phenyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1ccccc1)CC(=O)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)C(=O)CC(=O)c1ccccc1 |
| SMILES | CACTVS | 3.352 | OC(=O)C(=O)CC(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C(=O)CC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C(=O)CC(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14) |
| InChIKey | InChI | 1.03 | JGKFWCXVYCDKDU-UHFFFAOYSA-N |
