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4385-76-6 | 4-(4-Pyridyl)benzoic acid
CAS No: 4385-76-6 Catalog No: AG0038QH MDL No:MFCD04114574
Product Description
Catalog Number:
AG0038QH
Chemical Name:
4-(4-Pyridyl)benzoic acid
CAS Number:
4385-76-6
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD04114574
IUPAC Name:
4-pyridin-4-ylbenzoic acid
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
SMILES:
OC(=O)c1ccc(cc1)c1ccncc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.209g/mol
Monoisotopic Mass:
199.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| A new class of thermo- and solvatochromic metal-organic frameworks based on 4-(pyridin-4-yl)benzoic acid. | Dalton transactions (Cambridge, England : 2003) 20120414 |
| Geometry analysis and systematic synthesis of highly porous isoreticular frameworks with a unique topology. | Nature communications 20120124 |
| Synthesis, structures, and magnetism of copper(II) and manganese(II) coordination polymers with azide and pyridylbenzoates. | Inorganic chemistry 20110801 |
| A new approach to construct a doubly interpenetrated microporous metal-organic framework of primitive cubic net for highly selective sorption of small hydrocarbon molecules. | Chemistry (Weinheim an der Bergstrasse, Germany) 20110704 |
| A unique cobalt(II)-based molecular magnet constructed of hydroxyl/carboxylate bridges with a 3D pillared-layer motif. | Inorganic chemistry 20100719 |
| Coordination framework hosts consisting of 4-pyridyl-substituted carboxylic acid (PCA) dimers and 1D chains of Ni2+ and SCN-: a rational structural extension toward coordination framework hosts with large rectangular cavities. | Inorganic chemistry 20061113 |
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