G9A
Summary
| Name: | (2E)-pent-2-enedioic acid |
| Synonyms: | Glutaconic acid |
| Formula: | C5 H6 O4 |
| Formal charge: | 0 |
| Formula weight: | 130.099 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-pent-2-enedioic acid |
| OpenEye OEToolkits | 1.7.6 | (E)-pent-2-enedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)\C=C\CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+ |
| InChIKey | InChI | 1.03 | XVOUMQNXTGKGMA-OWOJBTEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C/C=C/C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CC=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(/C=C/C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C=CC(=O)O)C(=O)O |
