| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2008 | 12 | Yes |
Popular Name: methyl 1-cyanocyclohexanecarboxylate methyl 1-cyanocyclohexanecarboxy…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 58920-80-2 , [58920-80-2]
methyl 1-cyanocyclohexane-1-carboxylate
methyl1-cyanocyclohexanecarboxylate
| 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) | 1.95 | 5.32 | -6.07 | 0 | 3 | 0 | 50 | 167.208 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| melting_point | Oil | KeyOrganics |
