| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 15 | Yes |
Popular Name: 4-(2,5-Dimethylphenyl)-4-oxobutyric acid 4-(2,5-Dimethylphenyl)-4-oxobuty…
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CAS Numbers: 5394-59-2 , [5394-59-2]
4-(2,5-Dimethyl-phenyl)-4-oxo-butyric acid
4-(2,5-Dimethylphenyl)-4-oxobutanoic acid
4-(2,5-Xylyl)-4-oxobutanoic acid; .beta.-(2,5-Dimethylbenzoyl)propionic acid
| 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) | 2.07 | 7.81 | -45.75 | 0 | 3 | -1 | 57 | 205.233 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 80 - 84 | Enamine Building Blocks |
| MP | 81 - 83 | Enamine Building Blocks |
| MP | 81...83 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
