| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 12 | Yes |
Popular Name: 1,3,5-Trimethoxybenzene 1,3,5-Trimethoxybenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 621-23-8 , [621-23-8]
"1,3,5-Trimethoxybenzene, 99%"
1,3,5-Trimethoxybenzene (JAN); 621-23-8; D01792
1,3,5-trimethoxybenzene; CPD-9500; TMB; phloroglucinol trimethyl ether; sym-trimethoxybenzene
1,3,5-TRIMETHOXYBENZENE; [621-23-8]
1,3,5-Trimethoxybenzol;phloroglucinol trimethyl ether;sym-trimethoxybenzene
| 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) | 2.04 | 2.38 | -5.16 | 0 | 3 | 0 | 28 | 168.192 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 190 / 100 | TCI |
| BP [°C] | 255 | Acros Organics |
| Boiling_Point | 255? | Alfa-Aesar |
| Boiling_Point | 255° | Alfa-Aesar |
| Mp [°C] | 50 - 53 | Acros Organics |
| M.P | 50-53 °C | Indofine |
| MP | 50-53° | Oakwood Chemical |
| Melting_Point | 51-53? | Alfa-Aesar |
| Melting_Point | 51-53° | Alfa-Aesar |
| MP | 52 | TCI |
| Purity | 95% | Fluorochem |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Therapy | spasmolytic | SMDC MicroSource |
No pre-computed analogs available. Try a structural similarity search.