LML
Summary
| Name: | ISOBUTYL MALONIC ACID |
| Formula: | C7 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 160.168 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2-methylpropyl)propanedioic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(2-methylpropyl)propanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(C(=O)O)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)CC(C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)CC(C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H12O4/c1-4(2)3-5(6(8)9)7(10)11/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11) |
| InChIKey | InChI | 1.03 | FTKIARCSSZWRFJ-UHFFFAOYSA-N |
