Monomethyl fumarate
C₅H₆O₄·130.100 g/mol·CID 5369209
IUPAC: (E)-4-methoxy-4-oxobut-2-enoic acid
Also known as: 2756-87-8, Fumaric acid monomethyl ester, Bafiertam, 45IUB1PX8R, methylhydrogenfumarate (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
130.100g/mol
Exact Mass
130.026609Da
Monoisotopic Mass
130.026609Da
XLogP
0.4
Polar Surface Area
63.6Ų
Complexity
147
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
9
Stereo Centers
0
Bond Stereo
1
Drug-Likeness (Lipinski's Rule of Five)
✓ 130.1 g/mol
MW ≤ 500
✓ 0.4
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H318Causes serious eye damage
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₅H₆O₄
(E)-pent-2-enedioic acid
CID 5280498 · 130.1 g/mol
2-methylidenebutanedioic acid
CID 811 · 130.1 g/mol
(Z)-4-methoxy-4-oxobut-2-enoic acid
CID 5354456 · 130.1 g/mol
(E)-2-methylbut-2-enedioic acid
CID 638129 · 130.1 g/mol
(Z)-2-methylbut-2-enedioic acid
CID 643798 · 130.1 g/mol
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455 · 130.1 g/mol
pent-2-enedioic acid
CID 74406 · 130.1 g/mol
cyclopropane-1,1-dicarboxylic acid
CID 69017 · 130.1 g/mol