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2-Methoxyterephthalic acid

Catalog Number
ACM5156003-1
CAS Number
5156-00-3
Product Name
2-Methoxyterephthalic acid
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
Synonyms
2-methoxybenzene-1,4-dicarboxylic acid
IUPAC Name
2-methoxyterephthalic acid
Molecular Weight
196.16
Molecular Formula
C9H8O5
InChI
InChI=1S/C9H8O5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key
VQBBXLZPRXHYBO-UHFFFAOYSA-N
Purity
98%
Solubility
0.01 M
Appearance
White solid
Complexity
237
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
196.03717335g/mol
Formal Charge
0
Heavy Atom Count
14
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
196.03717335g/mol
NSC Number
137168
Rotatable Bond Count
3
Topological Polar Surface Area
83.8Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.3
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