Home Other Building Blocks Dibutyl fumarate

Dibutyl fumarate

CAS No.:
105-75-9
Catalog Number:
AG003811
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
95%
In Stock USA
United States
$50
- +
500g
95%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003811
Chemical Name:
Dibutyl fumarate
CAS Number:
105-75-9
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
MDL Number:
MFCD00065141
IUPAC Name:
dibutyl (E)-but-2-enedioate
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
SMILES:
CCCCOC(=O)/C=C/C(=O)OCCCC
UNII:
CQM31Z1NU9
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Antifungal properties of 2-bromo-3-fluorosuccinic acid esters and related compounds. Journal of medicinal chemistry 19770401
Properties