A1I3H
Summary
| Name: | 4,4-dimethyloxane-2,6-dione |
| Formula: | C7 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 142.152 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4,4-dimethyloxane-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H10O3/c1-7(2)3-5(8)10-6(9)4-7/h3-4H2,1-2H3 |
| InChIKey | InChI | 1.06 | HIJQFTSZBHDYKW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CC(=O)OC(=O)C1 |
| SMILES | CACTVS | 3.385 | CC1(C)CC(=O)OC(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CC(=O)OC(=O)C1)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CC(=O)OC(=O)C1)C |
