| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 9 | Yes |
Popular Name: 5-Methylisoxazole-4-carboxylic acid 5-Methylisoxazole-4-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 42831-50-5 , [42831-50-5]
"5-Methylisoxazole-4-carboxylic acid, 99%"
5-METHYL-4-ISOXASOLECARBOXYLIC ACID
5-Methyl-4-isoxazolecarboxylic acid
5-Methyl-4-IsoxazolecarboxylicAcid
5-Methyl-isoxazole-4-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) | 0.14 | 2.37 | -42.99 | 0 | 4 | -1 | 66 | 126.091 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 140-143° | Oakwood Chemical |
| MP | 143 - 147 | Enamine Building Blocks |
| MP | 144 - 146 | Enamine Building Blocks |
| Melting_Point | 144-149? | Alfa-Aesar |
| Melting_Point | 144-149° | Alfa-Aesar |
| MP | 144...146 | Enamine Building Blocks |
| MP | 147 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | 98% | APIChem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.