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2,5-DIMETHYLTEREPHTHALICACID

Catalog Number
ACM6051667-1
CAS Number
6051-66-7
Product Name
2,5-DIMETHYLTEREPHTHALICACID
Structure
Category
Customizable MOF Linkers
IUPAC Name
2,5-dimethylterephthalic acid
Molecular Weight
194.18g/mol
Molecular Formula
C10H10O4
InChI
InChI=1S/C10H10O4/c1-5-3-8(10(13)14)6(2)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChI Key
FKUJGZJNDUGCFU-UHFFFAOYSA-N
Complexity
223
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
174018
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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