9A7
Summary
| Name: | (2E)-but-2-en-1-ol |
| Formula: | C4 H8 O |
| Formal charge: | 0 |
| Formula weight: | 72.106 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-but-2-en-1-ol |
| OpenEye OEToolkits | 2.0.6 | (~{E})-but-2-en-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC[C@H]=[C@H]C |
| InChI | InChI | 1.03 | InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+ |
| InChIKey | InChI | 1.03 | WCASXYBKJHWFMY-NSCUHMNNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C=C\CO |
| SMILES | CACTVS | 3.385 | CC=CCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C/C=C/CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC=CCO |
