| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 16 | Yes |
Popular Name: 4-(4-Methoxyphenyl)-2-methyl-4-oxobutyric acid, 97% 4-(4-Methoxyphenyl)-2-methyl-4-o…
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CAS Number: 5717-16-8
2-Methyl-4-oxo-4-(4'-methoxyphenyl)butyric acid
4-(4-methoxyphenyl)-2-methyl-4-oxobutanoic acid
4-(4-Methoxyphenyl)-2-methyl-4-oxobutyric 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) | 1.78 | 6.39 | -46.05 | 0 | 4 | -1 | 66 | 221.232 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.78 | 4.41 | -7.64 | 1 | 4 | 0 | 64 | 222.24 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 125 - 127 | Enamine Building Blocks |
| MP | 125...127 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
