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4,6-Dimethylisophthalic acid

Catalog Number
ACM2790092-1
Product Name
4,6-Dimethylisophthalic acid
CAS
2790-09-2
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
Synonyms
4,6-Dimethylbenzene-1,3-dicarboxylic acid
IUPAC Name
4,6-dimethylbenzene-1,3-dicarboxylic acid
Molecular Weight
194.18
Molecular Formula
C10H10O4
InChI
InChI=1S/C10H10O4/c1-5-3-6(2)8(10(13)14)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChI Key
HAYIPGIFANTODX-UHFFFAOYSA-N
Purity
97%
Complexity
225
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
194.05790880g/mol
Formal Charge
0
Heavy Atom Count
14
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
194.05790880g/mol
NSC Number
231476
Rotatable Bond Count
2
Topological Polar Surface Area
74.6Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.7
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