UR9
Summary
| Name: | (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid |
| Synonyms: | Monomethyl fumarate |
| Formula: | C5 H6 O4 |
| Formal charge: | 0 |
| Formula weight: | 130.099 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-4-methoxy-4-oxidanylidene-but-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+ |
| InChIKey | InChI | 1.06 | NKHAVTQWNUWKEO-NSCUHMNNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)\C=C\C(O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)C=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C=CC(=O)O |
