In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 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]
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 | 4.44 | -52.36 | 0 | 4 | -1 | 77 | 162.124 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 218 - 220 | KeyOrganics |
MP | 218-220° | Matrix Scientific |
Purity | >95% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.