| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 13 | Yes |
Popular Name: Methyl 4-methoxysalicylate Methyl 4-methoxysalicylate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 06/02/46 , 2/6/5446 12:00:00 AM , 5446-02-6 , 5446-2-6 , [5446-02-6]
"Methyl 4-methoxysalicylate, 98%"
2-HYDROXY-4-METHOXY-BENZOIC ACID METHYL ESTER
2-Hydroxy-4-methoxybenzoic acid methyl ester
Methyl 2-hydroxy-4-methoxybenzoate
Methyl 2-hydroxy-4-methoxybenzoate 98%
Methyl 2-hydroxy-4-methoxybenzoate, 98%
Methyl 4-methoxysalicylate, 98%
| 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) | 2.16 | 0.94 | -8.45 | 1 | 4 | 0 | 56 | 182.175 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 134 / 7 | TCI |
| Boiling_Point | 134?/7mm | Alfa-Aesar |
| Boiling_Point | 134°/7mm | Alfa-Aesar |
| MP | 47 - 49 | Enamine Building Blocks |
| Melting_Point | 47-51? | Alfa-Aesar |
| Melting_Point | 47-51° | Alfa-Aesar |
| MP | 47...49 | Enamine Building Blocks |
| Mp [°C] | 49 - 53 | Acros Organics |
| MP | 50 | TCI |
| MP | 50 - 53 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.