| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 16 | No |
Popular Name: Methyl 4-hydroxy-3-methoxy-5-nitrobenzoate Methyl 4-hydroxy-3-methoxy-5-nit…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 42590-00-1 , [42590-00-1]
benzoic acid, 4-hydroxy-3-methoxy-5-nitro-, methyl ester
methyl 4-hydroxy-3-methoxy-5-nitrobenzenecarboxylate
methyl4-hydroxy-3-methoxy-5-nitrobenzenecarboxylate
| 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) | 1.56 | 3.67 | -8.08 | 1 | 7 | 0 | 102 | 227.172 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 4.74 | -40.9 | 0 | 7 | -1 | 104 | 226.164 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.590000000000000e+002 - 1.610000000000000e+002 | KeyOrganics |
| melting_point | 159 - 161 | KeyOrganics |
| MP | 159-161° | Matrix Scientific |
| Purity | 95%+ | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
