| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 12 | No |
Popular Name: 2-cyano-3-(furan-2-yl)prop-2-enoic acid 2-cyano-3-(furan-2-yl)prop-2-eno…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6332-92-9 , [6332-92-9]
(2E)-2-cyano-3-(furan-2-yl)prop-2-enoic acid
2-cyano-3-(furan-2-yl)prop-2-enoicacid
| 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) | 0.71 | 3.83 | -51.02 | 0 | 4 | -1 | 77 | 162.124 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 218 - 220 | KeyOrganics |
| MP | 227 - 229 | Enamine Building Blocks |
| MP | 227...229 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.