MEZ
Summary
| Name: | (2E)-2-METHYLBUT-2-ENEDIOIC ACID |
| Synonyms: | MESACONIC ACID MESACONATE |
| Formula: | C5 H6 O4 |
| Formal charge: | 0 |
| Formula weight: | 130.099 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-2-methylbut-2-enedioic acid |
| OpenEye OEToolkits | 1.5.0 | (E)-2-methylbut-2-enedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)\C=C(\C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=C\C(O)=O)/C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C/C(=C\C(=O)O)/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=CC(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+ |
| InChIKey | InChI | 1.03 | HNEGQIOMVPPMNR-NSCUHMNNSA-N |
