| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 15 | No |
Popular Name: methyl 2-hydroxy-5-methyl-3-nitrobenzenecarboxylate methyl 2-hydroxy-5-methyl-3-nitr…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 67191-44-0 , [67191-44-0]
Methyl 2-hydroxy-5-methyl-3-nitrobenzoate
methyl2-hydroxy-5-methyl-3-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) | 2.23 | 6.16 | -50.84 | 0 | 6 | -1 | 95 | 210.165 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 5.05 | -10.75 | 1 | 6 | 0 | 92 | 211.173 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.460000000000000e+002 - 1.480000000000000e+002 | KeyOrganics |
| melting_point | 146 - 148 | KeyOrganics |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
