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5,5'-(butane-1,4-diyl)-bis(oxy)diisophthalic acid

Catalog Number
ACM113585356-1
Product Name
5,5'-(butane-1,4-diyl)-bis(oxy)diisophthalic acid
CAS
113585-35-6
Category
Carboxylic acid MOF ligand-tetracarboxylic acid MOF ligand
IUPAC Name
5-[4-(3,5-dicarboxyphenoxy)butoxy]benzene-1,3-dicarboxylic acid
Molecular Weight
418.3g/mol
Molecular Formula
C20H18O10
InChI
InChI=1S/C20H18O10/c21-17(22)11-5-12(18(23)24)8-15(7-11)29-3-1-2-4-30-16-9-13(19(25)26)6-14(10-16)20(27)28/h5-10H,1-4H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)
InChI Key
WIYYHESYFXENJY-UHFFFAOYSA-N
Appearance
light yellow solid
Complexity
535
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
418.08999677g/mol
Formal Charge
0
Heavy Atom Count
30
Hydrogen Bond Acceptor Count
10
Hydrogen Bond Donor Count
4
Isotope Atom Count
0
Monoisotopic Mass
418.08999677g/mol
Rotatable Bond Count
11
Topological Polar Surface Area
168Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
2.4
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