| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 14 | No |
Popular Name: Methyl 3-hydroxy-4-nitrobenzoate Methyl 3-hydroxy-4-nitrobenzoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 713-52-0 , [713-52-0]
3-hydroxy-4-nitro-benzoic acid methyl ester
3-Hydroxy-4-nitrobenzoic acid methyl ester
benzoic acid, 3-hydroxy-4-nitro-, methyl ester
Methyl 3-hydroxy-4-nitrobenzoate, 98%
METHYL 3-HYDROXY-4-NITROBENZOATE; [713-52-0]
methyl-3-hydroxy-4-nitrobenzoate
| 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) | 1.78 | 3.91 | -8.75 | 1 | 6 | 0 | 92 | 197.146 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.75 | 10.44 | -68.31 | 3 | 11 | -1 | 157 | 583.706 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 89-92? | Alfa-Aesar |
| Melting_Point | 89-92° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| M.P | 90-91°C | Indofine |
| MP | 90-94° | Oakwood Chemical |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
