| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 17 | Yes |
Popular Name: 4-(4-n-Butylphenyl)-4-oxobutyric acid 4-(4-n-Butylphenyl)-4-oxobutyric…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 72271-71-7 , [72271-71-7]
| 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) | 3.11 | 1.9 | -47.02 | 0 | 3 | -1 | 57 | 233.287 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 113 - 115 | Enamine Building Blocks |
| MP | 113...115 | Enamine Building Blocks |
| MP | 114-117° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
