DXX
Summary
| Name: | METHYLMALONIC ACID |
| Formula: | C4 H6 O4 |
| Formal charge: | 0 |
| Formula weight: | 118.088 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methylpropanedioic acid |
| OpenEye OEToolkits | 1.5.0 | 2-methylpropanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) |
| InChIKey | InChI | 1.03 | ZIYVHBGGAOATLY-UHFFFAOYSA-N |
