| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 9 | No |
Popular Name: 2,3-Heptanedione 2,3-Heptanedione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1996/4/8 , 309972-37-0 , 309972-38-1 , 315180-08-6 , 315180-09-7 , 415899-63-7 , 415899-71-7 , 96-04-8
2,3-Dioxoheptane;Acetyl pentanoyl;Acetyl valeryl;Benzil-related compound, 47;FEMA 2543;Valerylacetyl
2,3-heptanedione; Acetyl pentanoyl; Acetyl valeryl; CPD-9080
4-Hepten-2-one, 3-hydroxy- (9CI)
4-Hepten-2-one, 3-hydroxy-, (4E)- (9CI)
4-Hepten-3-one, 2-hydroxy- (9CI)
4-Hepten-3-one, 2-hydroxy-, (4E)- (9CI)
5-Hepten-2-one, 3-hydroxy-, (3S,5E)- (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) | 0.97 | 4.28 | -3.27 | 0 | 2 | 0 | 34 | 128.171 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 64?/18mm | Alfa-Aesar |
| Boiling_Point | 64°/18mm | Alfa-Aesar |
