| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 9 | Yes |
Popular Name: 2-Oxocyclohexanecarbonitrile 2-Oxocyclohexanecarbonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4513-77-3 , 53586-71-3 , [4513-77-3]
| 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) | 1.05 | 4.19 | -11.02 | 0 | 2 | 0 | 41 | 123.155 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 150°/15mm | Fluorochem |
| BP | 150°/20mm | Matrix Scientific |
| Purity | 85% | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95%+ | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
