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4-Pyrid-4-ylbenzoic acid

Catalog Number
ACM4385766-1
Product Name
4-Pyrid-4-ylbenzoic acid
Structure
CAS
4385-76-6
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand
IUPAC Name
4-pyridin-4-ylbenzoic acid
Molecular Weight
199.20g/mol
Molecular Formula
C12H9NO2
InChI
InChI=1S/C12H9NO2/c14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8H,(H,14,15)
InChI Key
DZLGZIGLHCRIMF-UHFFFAOYSA-N
Complexity
216
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
199.063328530g/mol
Formal Charge
0
Heavy Atom Count
15
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Length
0.5-2um
Monoisotopic Mass
199.063328530g/mol
Rotatable Bond Count
2
SSA
>110 m2/g
Topological Polar Surface Area
50.2Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
2
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