| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 16th, 2006 | 12 | No |
Popular Name: Diethyl fumarate Diethyl fumarate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 141-05-9 , 623-91-6 , [623-91-6]
| 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) | 1.31 | 5.34 | -5.28 | 0 | 4 | 0 | 53 | 172.18 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 11? | Alfa-Aesar |
| Melting_Point | 11° | Alfa-Aesar |
| Mp [°C] | 1 - 2 | Acros Organics |
| MP | 2 | TCI |
| BP [°C] | 218 - 219 | Acros Organics |
| BP | 219 | TCI |
| Boiling_Point | 221-224? | Alfa-Aesar |
| Boiling_Point | 221-224° | Alfa-Aesar |
| Boiling_Point | 98-100?/14mm | Alfa-Aesar |
| Boiling_Point | 98-100°/14mm | Alfa-Aesar |
| Melting_Point | ca 0? | Alfa-Aesar |
| Melting_Point | ca 0° | Alfa-Aesar |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
