M1T
Summary
| Name: | 6,6-dihydroxy-1-methoxyhexan-2-one |
| Formula: | C7 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 162.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6,6-dihydroxy-1-methoxyhexan-2-one |
| OpenEye OEToolkits | 1.7.0 | 6,6-dihydroxy-1-methoxy-hexan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CCCC(O)O)COC |
| SMILES_CANONICAL | CACTVS | 3.370 | COCC(=O)CCCC(O)O |
| SMILES | CACTVS | 3.370 | COCC(=O)CCCC(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COCC(=O)CCCC(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | COCC(=O)CCCC(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H14O4/c1-11-5-6(8)3-2-4-7(9)10/h7,9-10H,2-5H2,1H3 |
| InChIKey | InChI | 1.03 | SIDFLZMSYWLVLY-UHFFFAOYSA-N |
