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105-75-9

105-75-9 | Dibutyl fumarate

CAS No: 105-75-9 Catalog No: AG003811 MDL No:MFCD00065141

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

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