| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2005 | 17 | No |
Popular Name: 4-(2-acetyl-3-oxo-1-butenyl)benzenecarboxylic acid 4-(2-acetyl-3-oxo-1-butenyl)benz…
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CAS Number: 119757-24-3
| 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) | 1.60 | 7.12 | -53.33 | 0 | 4 | -1 | 74 | 231.227 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 195 - 197 | KeyOrganics |
