In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 11 | Yes |
Popular Name: 3-ethyl-5-methylisoxazole-4-carboxylic acid 3-ethyl-5-methylisoxazole-4-carb…
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CAS Numbers: 17147-85-2 , [17147-85-2]
3-Ethyl-5-methyl-isoxazole-4-carboxylic acid
3-ethyl-5-methyl-isoxazole-4-carboxylicacid
3-Ethyl-5-methylisoxazole-4-carboxylic acid, 97%
4-Isoxazolecarboxylic acid, 3-ethyl-5-methyl- (8CI,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) | 0.94 | 3.81 | -45.62 | 0 | 4 | -1 | 66 | 154.145 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 110 - 112 | Enamine Building Blocks |
MP | 110...112 | Enamine Building Blocks |
Melting_Point | 123-125? | Alfa-Aesar |
Melting_Point | 123-125° | Alfa-Aesar |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 97% | Fluorochem |
Warnings | IRRITANT | Matrix Scientific |