| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 24 | No |
Popular Name: 4-(3-methoxy-3-oxo-1-propenyl)phenyl 3-nitrobenzenecarboxylate 4-(3-methoxy-3-oxo-1-propenyl)ph…
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CAS Number: 331461-77-9
| 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) | 4.33 | 4.79 | -15.26 | 0 | 7 | 0 | 98 | 327.292 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 177 - 178 | KeyOrganics |
