| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 7 | Yes |
Popular Name: 4H-PYRAN-4-ONE 4H-PYRAN-4-ONE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 108-97-4 , 29943-42-8 , 90981-30-9
| 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) | 0.51 | 2.25 | -13.41 | 0 | 2 | 0 | 30 | 96.085 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 165-167? | Alfa-Aesar |
| Boiling_Point | 165-167° | Alfa-Aesar |
| BP | 215 | TCI |
| MP | 32 | TCI |
| Purity | 95% | Fluorochem |
| Patent Database Links | EP0967205; EP1256342; EP1674096; EP1700853; GB2242191; US2004082585; US2008234388; WO2005003099; WO2007093880 | ChEBI |
No pre-computed analogs available. Try a structural similarity search.