| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 14th, 2012 | 14 | Yes |
Popular Name: Methyl 3-oxoisoindoline-5-carboxylate Methyl 3-oxoisoindoline-5-carbox…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 954239-52-2 , [954239-52-2]
1H-Isoindole-5-carboxylic acid, 2,3-dihydro-3-oxo-, methyl ester
3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID METHYL ESTER
methyl 3-oxo-2,3-dihydro-1H-isoindole-5-carboxylate
| 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) | 0.86 | 2.61 | -16.38 | 1 | 4 | 0 | 55 | 191.186 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 278 - 280 | Enamine Building Blocks |
| MP | 278...280 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.