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4,4'-(2,6-pyrazinediyl)bis-benzoic acid

Catalog Number
ACM623157255-1
Product Name
4,4'-(2,6-pyrazinediyl)bis-benzoic acid
Structure
CAS
623157-25-5
Category
Customizable MOF Linkers
IUPAC Name
4-[6-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid
Molecular Weight
320.3g/mol
Molecular Formula
C18H12N2O4
InChI
InChI=1S/C18H12N2O4/c21-17(22)13-5-1-11(2-6-13)15-9-19-10-16(20-15)12-3-7-14(8-4-12)18(23)24/h1-10H,(H,21,22)(H,23,24)
InChI Key
NXUMLHLRQLEKIE-UHFFFAOYSA-N
Complexity
414
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
320.07970687g/mol
Formal Charge
0
Heavy Atom Count
24
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
320.07970687g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
100Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
2.2
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