FUM
Summary
| Name: | FUMARIC ACID |
| Formula: | C4 H4 O4 |
| Formal charge: | 0 |
| Formula weight: | 116.072 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-but-2-enedioic acid |
| OpenEye OEToolkits | 1.7.6 | (E)-but-2-enedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)\C=C\C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+ |
| InChIKey | InChI | 1.03 | VZCYOOQTPOCHFL-OWOJBTEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)\C=C\C(O)=O |
| SMILES | CACTVS | 3.370 | OC(=O)C=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(=C/C(=O)O)\C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(=CC(=O)O)C(=O)O |
