| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2004 | 16 | No |
Popular Name: 2-(3-oxobutyl)-1H-isoindole-1,3(2H)-dione 2-(3-oxobutyl)-1H-isoindole-1,3(…
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CAS Numbers: 3783-77-5 , [3783-77-5]
1H-isoindole-1,3(2H)-dione, 2-(3-oxobutyl)-
2-(3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione
2-(3-OXOBUTYL)ISOINDOLINE-1,3-DIONE
| 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) | 1.34 | 5.36 | -11.12 | 0 | 4 | 0 | 56 | 217.224 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 107 - 109 | Enamine Building Blocks |
| MP | 107...109 | Enamine Building Blocks |
| melting_point | 111 - 113 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 96% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
