| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2006 | 15 | Yes |
Popular Name: Ethyl 3-oxo-2,3-dihydrobenzofuran-2-carboxylate Ethyl 3-oxo-2,3-dihydrobenzofura…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13099-95-1 , [13099-95-1]
2-ETHOXYCARBONYL-3-COUMARANONE
3-Hydroxy-benzofuran-2-carboxylic acid ethyl ester
ethyl 2,3-dihydro-3-oxo-benzofuran-2-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) | 2.42 | 5.83 | -45.54 | 0 | 4 | -1 | 63 | 205.189 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.42 | 4.7 | -23.11 | 1 | 4 | 0 | 60 | 206.197 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.