DMF (Dimethyl Fumarate)

Chemical Information
Dimethyl fumarate is an enoate ester resulting from the formal condensation of both carboxy groups of fumaric acid with methanol. Used for treatment of adults with relapsing forms of multiple sclerosis. It has a role as an antipsoriatic and an immunomodulator. It is a methyl ester, a diester and an enoate ester. It is functionally related to a methanol and a fumaric acid.
| CAS Number | 624-49-7 |
| PubChem CID | 637568 |
| IUPAC Name | dimethyl (E)-but-2-enedioate |
| Molecular Formula | C6H8O4 |
| Molecular Weight | 144.12 |
| XLogP | 0.7 |
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 141 |
| Property | Value |
|---|---|
| Molecular Weight | 144.12 |
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 144.04225873 |
| Monoisotopic Mass | 144.04225873 |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 141 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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