| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 12 | Yes |
Popular Name: 4-propionyl-1H-pyrrole-2-carboxylic acid 4-propionyl-1H-pyrrole-2-carboxy…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 111468-94-1 , [111468-94-1]
| 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) | 0.99 | 3.21 | -55.1 | 1 | 4 | -1 | 73 | 166.156 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 216 - 220 | KeyOrganics |
| MP | 216-220° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
