| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 10 | No |
Popular Name: 2,3-Octanedione 2,3-Octanedione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 315180-10-0 , 315180-11-1 , 585-25-1
2,3-Dioxooctane;2,3-Octadione;2,3-Octandione;Methyl pentyl diketone;Octane-2,3-dione
4-Octen-2-one, 3-hydroxy-, (4E)- (9CI)
| 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) | 1.48 | 5.05 | -3.28 | 0 | 2 | 0 | 34 | 142.198 | 5 | ↓ |
