| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 5 | Yes |
Popular Name: 3-Hydroxypropionitrile 3-Hydroxypropionitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 109-78-4 , 117657-37-1 , 3-Hydroxypropionitrile
| 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) | -0.86 | -0.71 | -6.36 | 1 | 2 | 0 | 44 | 71.079 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 46 | Acros Organics |
| Melting_Point | 46? | Alfa-Aesar |
| Melting_Point | 46° | Alfa-Aesar |
| BP | 221 | TCI |
| Boiling_Point | 227-228? | Alfa-Aesar |
| Boiling_Point | 227-228° | Alfa-Aesar |
| BP [°C] | 228 | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.