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5-((4-Carboxybenzyl)oxy)isophthalic acid

Catalog Number
ACM1050912623-1
Product Name
5-((4-Carboxybenzyl)oxy)isophthalic acid
CAS
1050912-62-3
Category
Customizable MOF Linkers
IUPAC Name
5-[(4-carboxyphenyl)methoxy]benzene-1,3-dicarboxylic acid
Molecular Weight
316.26
Molecular Formula
C16H12O7
InChI
InChI=1S/C16H12O7/c17-14(18)10-3-1-9(2-4-10)8-23-13-6-11(15(19)20)5-12(7-13)16(21)22/h1-7H,8H2,(H,17,18)(H,19,20)(H,21,22)
InChI Key
GOZATJNCMKPSAV-UHFFFAOYSA-N
Purity
97%
Complexity
431
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
316.05830272g/mol
Formal Charge
0
Heavy Atom Count
23
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Monoisotopic Mass
316.05830272g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
121Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
2
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