| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 12 | Yes |
Popular Name: Valerophenone Valerophenone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1009-14-9 , 4160-52-5 , [1009-14-9]
| 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) | 3.40 | 7.31 | -6.6 | 0 | 1 | 0 | 17 | 162.232 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 9 | Acros Organics |
| Melting_Point | 9? | Alfa-Aesar |
| Melting_Point | 9° | Alfa-Aesar |
| BP [°C] | 105 - 107 (p=5 torr) | Acros Organics |
| BP | 140 / 25 | TCI |
| Boiling_Point | 244-245? | Alfa-Aesar |
| Boiling_Point | 244-245° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Patent Database Links | US2004229326; WO2005034878 | ChEBI |
| PUBCHEM_PATENT_ID | US4886784 | IBM Patent Data |
