| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2005 | 18 | Yes |
Popular Name: 5-(3,4-Dimethoxyphenyl)isoxazole-3-carboxylic acid 5-(3,4-Dimethoxyphenyl)isoxazole…
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CAS Number: 33282-17-6
3-isoxazolecarboxylic acid, 5-(3,4-dimethoxyphenyl)-
5-(3,4-Dimethoxy-phenyl)-isoxazole-3-carboxylic ac
5-(3,4-Dimethoxy-phenyl)-isoxazole-3-carboxylic acid
5-(3,4-dimethoxy-phenyl)-isoxazole-3-carboxylicacid
5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
5-(3,4-dimethoxyphenyl)isoxazole-3-carboxylic 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) | 1.80 | 4.41 | -51.83 | 0 | 6 | -1 | 85 | 248.214 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.