| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 13 | No |
Popular Name: 3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde 3,4-dihydro-2H-1,5-benzodioxepin…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 67869-90-3 , 67889-90-3 , [67869-90-3]
2H-1,5-benzodioxepin-7-carboxaldehyde, 3,4-dihydro-
3,4-Dihydro-2H-1,5-benzodioxepin-7-carboxaldehyde
| 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) | 1.51 | 4.18 | -8.17 | 0 | 3 | 0 | 36 | 178.187 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 120 - 122 (p=0.1 torr) | Acros Organics |
| Boiling_Point | 120-122? | Alfa-Aesar |
| Boiling_Point | 120-122° | 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 |
