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5,5'-(Ethene-1,2-diyl)diisophthalic acid

Catalog Number
ACM1025726446-1
Product Name
5,5'-(Ethene-1,2-diyl)diisophthalic acid
CAS
1025726-44-6
Category
Carboxylic acid MOF ligand-tetracarboxylic acid MOF ligand
Synonyms
H4TSTC
IUPAC Name
5-[2-(3,5-dicarboxyphenyl)ethenyl]benzene-1,3-dicarboxylic acid
Molecular Weight
356.28
Molecular Formula
C18H12O8
InChI
InChI=1S/C18H12O8/c19-15(20)11-3-9(4-12(7-11)16(21)22)1-2-10-5-13(17(23)24)8-14(6-10)18(25)26/h1-8H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChI Key
VVBXPIRCGICDRY-UHFFFAOYSA-N
Purity
97%
Appearance
Off-white solid
Complexity
514
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
356.05321734g/mol
Formal Charge
0
Heavy Atom Count
26
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
4
Isotope Atom Count
0
Monoisotopic Mass
356.05321734g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
149Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
1
XLogP3
2.3
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