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4,6-Dihydroxyisophthalic acid

Catalog Number
ACM19829744-2
CAS Number
19829-74-4
Product Name
4,6-Dihydroxyisophthalic acid
Structure
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
Synonyms
4,6-Dioxido-1,3-benzenedicarboxylate
IUPAC Name
4,6-dihydroxybenzene-1,3-dicarboxylic acid
Molecular Weight
198.13
Molecular Formula
C8H6O6
InChI
InChI=1S/C8H6O6/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2,9-10H,(H,11,12)(H,13,14)
InChI Key
MZGVIIXFGJCRDR-UHFFFAOYSA-N
Purity
98%
Appearance
White solid
Complexity
226
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
198.01643791g/mol
Formal Charge
0
Heavy Atom Count
14
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
4
Isotope Atom Count
0
MeSH Entry Terms
4,6-dihydroxyisophthalic acid
Monoisotopic Mass
198.01643791g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
115Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.4
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