In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 9 | No |
Popular Name: 3-Octen-2-one 3-Octen-2-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1669-44-9 , 18402-82-9
(3E)-3-octen-2-one; 3-octen-2-one; CPD-13321; trans-3-octen-2-one
(3E)-3-Octen-2-one;(E)-3-Octen-2-one;FEMA 3416;trans-3-Octen-2-one
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) | 2.56 | 5.76 | -5.02 | 0 | 1 | 0 | 17 | 126.199 | 4 | ↓ |
Ref Reference (pH 7) | 2.56 | 5.73 | -4.35 | 0 | 1 | 0 | 17 | 126.199 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Boiling_Point | 60?/16mm | Alfa-Aesar |
Boiling_Point | 60°/16mm | Alfa-Aesar |
BP | 78 / 12 | TCI |