| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 16 | Yes |
Popular Name: 4-(4-Methoxy-2-methyl-phenyl)-4-oxo-butyric acid 4-(4-Methoxy-2-methyl-phenyl)-4-…
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CAS Numbers: 67405-48-5 , [67405-48-5]
4-(4-methoxy-2-methyl-phenyl)-4-oxo-butyricacid
4-(4-methoxy-2-methylphenyl)-4-oxobutanoic 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) | 1.68 | 6.46 | -45.4 | 0 | 4 | -1 | 66 | 221.232 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.68 | 4.48 | -8.19 | 1 | 4 | 0 | 64 | 222.24 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 135° | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
