| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 11 | Yes |
Popular Name: methyl 1-cyanocyclopentanecarboxylate methyl 1-cyanocyclopentanecarbox…
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CAS Numbers: 40862-12-2 , [40862-12-2]
Cyclopentanecarboxylic acid, 1-cyano-, methyl ester (9CI)
methyl-1-cyanocyclopentanecarboxylate
methyl1-cyanocyclopentanecarboxylate
| 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) | 1.44 | 4.92 | -5.76 | 0 | 3 | 0 | 50 | 153.181 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 80°@0.7mm | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| melting_point | Oil | KeyOrganics |
