| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2008 | 7 | No |
Popular Name: 4-Hexen-3-one 4-Hexen-3-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 24253-30-3 , 2497-21-4 , 50396-87-7
| 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) | 1.26 | 4.26 | -5.22 | 0 | 1 | 0 | 17 | 98.145 | 2 | ↓ |
| Ref Reference (pH 7) | 1.26 | 4.3 | -4.35 | 0 | 1 | 0 | 17 | 98.145 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 135-137? | Alfa-Aesar |
| Boiling_Point | 135-137° | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0170243A2; EP0170243B1; EP0305218A2; EP0305218B1; EP0337738A2; EP0337738B1; US3979471; US4007089; US4026947; US4125541; US4125714; US4172180; US4368267; US4657862; US4686307; US4897088; US5182343; US5302487; US5350820; US5593639; US5866651; US5976750; U | IBM Patent Data |
| PUBCHEM_PATENT_ID | US5387603 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.