| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 12 | Yes |
Popular Name: 4-acetyl-1-methyl-1H-pyrrole-2-carboxylic acid 4-acetyl-1-methyl-1H-pyrrole-2-c…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 339011-93-7 , [339011-93-7]
1H-Pyrrole-2-carboxylic acid, 4-acetyl-1-methyl- (9CI)
4-Acetyl-1-methyl-1H-pyrrole-2-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) | 0.56 | 4.07 | -45.74 | 0 | 4 | -1 | 62 | 166.156 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 177 - 179 | Enamine Building Blocks |
| MP | 177 - 181 | Enamine Building Blocks |
| MP | 178 - 180 | Enamine Building Blocks |
| MP | 178...180 | Enamine Building Blocks |
| melting_point | 187 - 189 (dec) | KeyOrganics |
| MP | 187-189° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
