X3B
Summary
| Name: | 2-methylidene-1,3-dioxane-4,4-diol |
| Formula: | C5 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 132.115 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-methylidene-1,3-dioxane-4,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H8O4/c1-4-8-3-2-5(6,7)9-4/h6-7H,1-3H2 |
| InChIKey | InChI | 1.06 | IMDAPZFNKPSNIF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1(O)CCOC(=C)O1 |
| SMILES | CACTVS | 3.385 | OC1(O)CCOC(=C)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=C1OCCC(O1)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=C1OCCC(O1)(O)O |
