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3-Pyridin-3-yl-benzoic acid

Catalog Number
ACM4385777-2
Product Name
3-Pyridin-3-yl-benzoic acid
Structure
CAS
4385-77-7
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand
Synonyms
3-(3-Carboxyphenyl)pyridine
IUPAC Name
3-pyridin-3-ylbenzoic acid
Molecular Weight
199.21
Molecular Formula
C12H9NO2
InChI
InChI=1S/C12H9NO2/c14-12(15)10-4-1-3-9(7-10)11-5-2-6-13-8-11/h1-8H,(H,14,15)
InChI Key
PXASTGBSGPFLFJ-UHFFFAOYSA-N
Boiling Point
202-205.5 °C
Melting Point
202-205.5 °C
Purity
97%
Appearance
White or off-white solid
Complexity
230
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
Monoisotopic Mass
199.063328530g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
50.2Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
2
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