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5-(2'-Carboxylphenoxy)isophthalic acid

Catalog Number
ACM1361345858-2
CAS Number
1361345-85-8
Product Name
5-(2'-Carboxylphenoxy)isophthalic acid
Category
Carboxylic acid MOF ligand-tricarboxylic acid MOF ligand
Synonyms
O-cpiah3
IUPAC Name
5-(2-carboxyphenoxy)benzene-1,3-dicarboxylic acid
Molecular Weight
302.24
Molecular Formula
C15H10O7
InChI
InChI=1S/C15H10O7/c16-13(17)8-5-9(14(18)19)7-10(6-8)22-12-4-2-1-3-11(12)15(20)21/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChI Key
IYCRITGDNAXNJH-UHFFFAOYSA-N
Purity
98%
Complexity
425
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
302.04265265g/mol
Formal Charge
0
Heavy Atom Count
22
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Monoisotopic Mass
302.04265265g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
121Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
2.2
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