| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2007 | 18 | Yes |
Popular Name: ethyl 8-cyano-4-hydroxy-3-quinolinecarboxylate ethyl 8-cyano-4-hydroxy-3-quinol…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 77156-79-7 , [77156-79-7]
8-Cyano-4-hydroxyquinoline-3-carboxylic acid ethyl ester
Ethyl 8-cyano-4-hydroxyquinoline-3-carboxylate
ethyl8-cyano-4-hydroxy-3-quinolinecarboxylate
| 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) | 1.85 | 6.02 | -43.85 | 0 | 5 | -1 | 86 | 241.226 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.55 | 7.15 | -13.78 | 1 | 5 | 0 | 83 | 242.234 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 235 - 238 | KeyOrganics |
| MP | 235-238° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0343574A1; EP0343574B1; US5081121 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
