| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 12 | Yes |
Popular Name: 1-BENZOFURAN-3-YLACETONITRILE 1-BENZOFURAN-3-YLACETONITRILE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 52407-43-9 , [52407-43-9]
| 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) | 2.15 | 3.3 | -10.64 | 0 | 2 | 0 | 37 | 157.172 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 120-122?/4mm | Alfa-Aesar |
| Boiling_Point | 120-122°/4mm | Alfa-Aesar |
| BP | 120° /0.5mm | Oakwood Chemical |
| BP | 120°/0.5mm | Matrix Scientific |
| Melting_Point | 38-39? | Alfa-Aesar |
| MP | 38-39° | Matrix Scientific |
| Purity | 95% | Matrix Scientific |
| Warnings | IRRITANT, IRRITANT-HARMFUL | Matrix Scientific |
| Warnings | Irritant/Irritant-Harmful | Matrix Scientific |
