040
Summary
| Name: | 4-(2-methylphenyl)-2,4-dioxobutanoic acid |
| Formula: | C11 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 206.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2-methylphenyl)-2,4-dioxobutanoic acid |
| OpenEye OEToolkits | 1.7.2 | 4-(2-methylphenyl)-2,4-bis(oxidanylidene)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccccc1C)CC(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | AVVYWVLNDGDANA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccccc1C(=O)CC(=O)C(O)=O |
| SMILES | CACTVS | 3.370 | Cc1ccccc1C(=O)CC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1ccccc1C(=O)CC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1ccccc1C(=O)CC(=O)C(=O)O |
