| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2004 | 14 | Yes |
Popular Name: ethyl 3-acetyl-5-methyl-4-isoxazolecarboxylate ethyl 3-acetyl-5-methyl-4-isoxaz…
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CAS Number: 478068-05-2
3-Acetyl-5-methyl-isoxazole-4-carboxylic acid ethyl ester
4-Isoxazolecarboxylic acid, 3-acetyl-5-methyl-, ethyl ester (9CI)
| 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) | 0.92 | 4.87 | -9.98 | 0 | 5 | 0 | 69 | 197.19 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 0 | KeyOrganics |
