| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 15 | Yes |
Popular Name: Benzoic acid, 4-(3-hydroxy-2-methylpropyl)-, methyl ester (9CI) Benzoic acid, 4-(3-hydroxy-2-met…
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CAS Numbers: 170955-21-2 , 170955-25-6
| 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) | 2.40 | 4.51 | -7.93 | 1 | 3 | 0 | 47 | 208.257 | 5 | ↓ |
