| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 14 | No |
Popular Name: 3-Methoxy-4-nitrobenzoic acid 3-Methoxy-4-nitrobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5081-36-7 , N/A , [5081-36-7]
| 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) | 1.79 | 4.86 | -40.52 | 0 | 6 | -1 | 95 | 196.138 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 231-235? | Alfa-Aesar |
| Melting_Point | 231-235° | Alfa-Aesar |
| MP | 233 - 235 | Enamine Building Blocks |
| M.P | 233-235 °C | Indofine |
| MP | 233...235 | Enamine Building Blocks |
| MP | 235 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.