Monoethyl fumarate

CAT: 0957-E7432-1gSize: 1 gDry Ice: NoHazardous: No

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CAT#:0957-E7432-1gSize:1 g

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CAS Number

2459-05-4

Additionnal Information

Monoethyl fumarate is the monoethyl ester form of fumaric acid. Monoethyl fumarate is a kind of effective preservative and polymerization agent for macromolecular material.

Storage Conditions

3 years-20°C powder 2 years-80°C in solvent

Chemical Information

Monoethyl fumarate

CAS Number	2459-05-4
PubChem CID	5358902
IUPAC Name	(E)-4-ethoxy-4-oxobut-2-enoic acid
Molecular Formula	C6H8O4
Molecular Weight	144.12
XLogP	0.2
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	159

SMILES

CCOC(=O)/C=C/C(=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+

InChIKey

XLYMOEINVGRTEX-ONEGZZNKSA-N

Chemical Structure

2D Structure

CAS: 2459-05-4

CID: 5358902

Formula: C6H8O4

MW: 144.12

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	144.12
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	144.04225873
Monoisotopic Mass	144.04225873
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	159
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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GTR19216777-01	Monoethyl pimelate
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Monoethyl fumarate

Chemical Information

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