| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2005 | 16 | Yes |
Popular Name: 2,3-Dihydro-6-methyl-3-oxo-4H-1,4-benzoxazine-4-propionitrile 2,3-Dihydro-6-methyl-3-oxo-4H-1,…
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CAS Number: 351003-19-5
3-[6-Methyl-2H-1,4-benzodioxazin-3(4H)-one-4-yl]propionitrile
6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazine-4-propionitrile, 97%
| 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) | 1.11 | 5.56 | -9.04 | 0 | 4 | 0 | 53 | 216.24 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 128-130? | Alfa-Aesar |
| Melting_Point | 128-130° | Alfa-Aesar |
