Dimethyl maleate

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Catalog Number
ACM624486-1
Product Name
Dimethyl maleate
Structure
Structure
CAS
624-48-6
Category
Heterocyclic Organic Compound
Synonyms
Cis-propenoic acid dimethyl ester
IUPAC Name
Dimethyl (Z)-but-2-enedioate
Molecular Weight
144.13
Molecular Formula
C6H8O4
Canonical SMILES
COC(=O)C=CC(=O)OC
InChI
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3-
InChI Key
LDCRTTXIJACKKU-ARJAWSKDSA-N
Boiling Point
204-205 °C(lit.)
Melting Point
-19 °C
Flash Point
196 °F
Density
1.152 g/mL at 25 °C(lit.)
Appearance
Clear liquid
Storage
Sealed in dry, room temperature
Complexity
141
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Exact Mass
144.04225873
Formal Charge
0
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
10
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Isomeric SMILES
COC(=O)/C=C\C(=O)OC
Isotope Atom Count
0
Monoisotopic Mass
144.04225873
Packing Group
III
Physical State
Liquid
Refractive Index
n20/D 1.441(lit.)
Rotatable Bond Count
4
Safety Description
S23-S36/37
Stability
Stable. Combustible. Incompatible with acids, bases, reducing agents, strong oxidizing agents.
Topological Polar Surface Area
52.6 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
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