| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 16 | No |
Popular Name: methyl 2-(4-nitrophenyl)butanoate methyl 2-(4-nitrophenyl)butanoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 24646-25-1 , [24646-25-1]
| 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) | 2.44 | 7.86 | -9.31 | 0 | 5 | 0 | 72 | 223.228 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | US4476315 | IBM Patent Data |
