| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 22nd, 2013 | 0 | No |
Popular Name: methyl 4-(3-nitrophenyl)-2,4-dioxobutanoate methyl 4-(3-nitrophenyl)-2,4-dio…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 151646-59-2 , 345617-18-7 , [345617-18-7]
4-(3-Nitro-phenyl)-2,4-dioxo-butyric acid methyl e
4-(3-Nitro-phenyl)-2,4-dioxo-butyric acid methyl ester
4-Hydroxy-4-(3-nitro-phenyl)-2-oxo-but-3-enoic acid methyl ester
Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate
None
| 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) | 1.44 | 6.9 | -47.93 | 0 | 7 | -1 | 112 | 250.186 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.110000000000000e+002 - 1.130000000000000e+002 | KeyOrganics |
| melting_point | 111 - 113 | KeyOrganics |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.