In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2005 | 19 | No |
Popular Name: 2-(3-methylbutyl)-1,3-dioxoisoindoline-5-carboxylic acid 2-(3-methylbutyl)-1,3-dioxoisoin…
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CAS Number: 496913-99-6
2-(3-Methyl-butyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-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) | 3.06 | 1.11 | -43.74 | 0 | 5 | -1 | 79 | 260.269 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 154 - 156 | Enamine Building Blocks |
MP | 154...156 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |