Fumaric acid monoethyl ester

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Catalog Number
ACM2459054
Product Name
Fumaric acid monoethyl ester
Structure
Structure
CAS
2459-05-4
Category
Heterocyclic Organic Compound
IUPAC Name
(E)-4-ethoxy-4-oxobut-2-enoic acid
Molecular Weight
144.12g/mol
Molecular Formula
C6H8O4
Canonical SMILES
CCOC(=O)C=CC(=O)O
InChI
InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+
InChI Key
XLYMOEINVGRTEX-ONEGZZNKSA-N
Complexity
159
Covalently-Bonded Unit Count
1
EC Number
219-544-7
Exact Mass
144.042259g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
1
Heavy Atom Count
10
Monoisotopic Mass
144.042259g/mol
NSC Number
244252
Rotatable Bond Count
4
UNII
Y3W849NG2N
XLogP3
0.2
MSDS
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COA
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Spec Sheet
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