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3,5-Di-4-pyridinylphenol

Catalog Number
ACM876905576-1
Product Name
3,5-Di-4-pyridinylphenol
CAS
876905-57-6
Category
Nitrogen-containing MOF ligand-binary nitrogen-containing MOF ligand
IUPAC Name
3,5-dipyridin-4-ylphenol
Molecular Weight
248.28g/mol
Molecular Formula
C16H12N2O
InChI
InChI=1S/C16H12N2O/c19-16-10-14(12-1-5-17-6-2-12)9-15(11-16)13-3-7-18-8-4-13/h1-11,19H
InChI Key
ALODHLBOHCOHIS-UHFFFAOYSA-N
Complexity
246
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
248.094963011g/mol
Formal Charge
0
Heavy Atom Count
19
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Monoisotopic Mass
248.094963011g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
46Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
2.7
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