| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 14 | Yes |
Popular Name: methyl 3-acetyl-4-hydroxybenzoate methyl 3-acetyl-4-hydroxybenzoate
Find On: PubMed — Wikipedia — Google
CAS Number: 57009-12-8
None
| 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) | 1.92 | 5.11 | -46.05 | 0 | 4 | -1 | 66 | 193.178 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 4.08 | -13.24 | 1 | 4 | 0 | 64 | 194.186 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| MP | 96 - 98 | Enamine Building Blocks |
| MP | 96...98 | Enamine Building Blocks |
| MP | 98 - 100 | Enamine Building Blocks |
