| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 12 | Yes |
Popular Name: 4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxylic acid 4,5,6,7-tetrahydro-1,2-benzisoxa…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 90005-77-9 , [90005-77-9]
1,2-benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-
4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
4,5,6,7-Tetrahydro-benzo[ d ]isoxazole-3-carboxyli
4,5,6,7-Tetrahydro-benzo[ d ]isoxazole-3-carboxylic acid
4,5,6,7-Tetrahydro-benzo[d]isoxazole-3-carboxylic acid
4,5,6,7-tetrahydro-benzo[d]isoxazole-3-carboxylicacid
| 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) | 1.41 | 4.11 | -54.79 | 0 | 4 | -1 | 66 | 166.156 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 124 - 126 | Enamine Building Blocks |
| MP | 124...126 | Enamine Building Blocks |
| MP | 128° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| Purity | 93% | Matrix Scientific |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.