CAS 113585-35-6 5,5'-(butane-1,4-diyl)-bis(oxy)diisophthalic acid

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

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Catalog Number

ACM113585356-1

CAS Number

113585-35-6

Product Name

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

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

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

418.08999677g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

418.08999677g/mol

Rotatable Bond Count

Topological Polar Surface Area

168Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

2.4

MSDS

Download MSDS

COA

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Spec Sheet

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