Dibutyl fumarate

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Catalog Number
ACM105759-1
Product Name
Dibutyl fumarate
Structure
Structure
CAS
105-75-9
Category
Polymer/Macromolecule
Synonyms
dibutyl (E)-but-2-enedioate
IUPAC Name
Dibutyl (E)-but-2-enedioate
Molecular Weight
228.28
Molecular Formula
C12H20O4
Canonical SMILES
CCCCOC(=O)C=CC(=O)OCCCC
InChI
InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
InChI Key
JBSLOWBPDRZSMB-BQYQJAHWSA-N
Boiling Point
141 °C
Melting Point
-18 °C
Flash Point
90 °C
Density
0.98 g/cm3
Appearance
Colorless to Almost colorless clear liquid
Alpha Sort
Dibutyl fumarate
Complexity
209
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
EC Number
203-327-9
Exact Mass
228.1361
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Isomeric SMILES
CCCCOC(=O)/C=C/C(=O)OCCCC
Isotope Atom Count
0
Monoisotopic Mass
228.1361
NSC Number
165581;140
Physical State
Solid
Rotatable Bond Count
10
Topological Polar Surface Area
52.6 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
UNII
CQM31Z1NU9
Viscosity
6.9cp (25°C)
XLogP3
2.7
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