89N
Summary
| Name: | (2E)-but-2-ene-1,4-diol |
| Formula: | C4 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 88.105 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-but-2-ene-1,4-diol |
| OpenEye OEToolkits | 2.0.7 | (~{E})-but-2-ene-1,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC\C=C\CO |
| InChI | InChI | 1.03 | InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1+ |
| InChIKey | InChI | 1.03 | ORTVZLZNOYNASJ-OWOJBTEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC/C=C/CO |
| SMILES | CACTVS | 3.385 | OCC=CCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(/C=C/CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C=CCO)O |
