| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2006 | 12 | Yes |
Popular Name: Acetoin Acetoin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 23147-57-1 , 513-86-0 , [23147-57-1]
2,3,5,6-Tetramethyl-1,4-dioxane-2,5-diol
3-Hydroxy-2-butanone, monomer + dimer
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.45 | -1.38 | -5.74 | 2 | 4 | 0 | 59 | 176.212 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 148? | Alfa-Aesar |
| Boiling_Point | 148° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.