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Dimethyl Maleate

CAT: 0572-TRC-D473570-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-D473570-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
624-48-6
Synonyms
Dimethyl Maleate
Hazard Statement
Harmful if swallowed; UN number: UN2810; Packing Group: III
Purity
>95% (GC)
Smiles
COC(=O)\C=C/C(=O)OC
Molecular Formula
C6 H8 O4
Molecular Weight
144.13
InChI
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3-
Additionnal Information
IUPAC name: dimethyl (Z)-but-2-enedioate
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Dimethyl maleate

Dimethyl maleate is a maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with methanol. It is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis. It is a methyl ester, a maleate ester and a diester. It is functionally related to a methanol.

CAS Number624-48-6
PubChem CID5271565
IUPAC Namedimethyl (Z)-but-2-enedioate
Molecular FormulaC6H8O4
Molecular Weight144.12
XLogP0.7
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity141
SMILES
COC(=O)/C=C\C(=O)OC
InChI
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3-
InChIKey
LDCRTTXIJACKKU-ARJAWSKDSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl maleate
CAS: 624-48-6
CID: 5271565
Formula: C6H8O4
MW: 144.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.12
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass144.04225873
Monoisotopic Mass144.04225873
Topological Polar Surface Area52.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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