| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | Yes |
Popular Name: 4-(3,3-dimethyl-2-oxo-1-azetanyl)benzenecarbonitrile 4-(3,3-dimethyl-2-oxo-1-azetanyl…
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CAS Numbers: 454473-69-9 , N/A
4-(3,3-Dimethyl-2-oxo-1-azetanyl)-benzenecarbonitrile
4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile
| 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) | 2.14 | 2.37 | -11.6 | 0 | 3 | 0 | 44 | 200.241 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 121 - 123 | KeyOrganics |
| MP | 121-123° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
