6OM
Summary
| Name: | (2Z)-2-methylbut-2-ene-1,4-diol |
| Formula: | C5 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 102.132 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z)-2-methylbut-2-ene-1,4-diol |
| OpenEye OEToolkits | 2.0.4 | (~{Z})-2-methylbut-2-ene-1,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(/CO)(=C/CO)C |
| InChI | InChI | 1.03 | InChI=1S/C5H10O2/c1-5(4-7)2-3-6/h2,6-7H,3-4H2,1H3/b5-2- |
| InChIKey | InChI | 1.03 | FLXLJBCLEUWWCG-DJWKRKHSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C/C(CO)=C/CO |
| SMILES | CACTVS | 3.385 | CC(CO)=CCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C/C(=C/CO)/CO |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(=CCO)CO |
