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4385-77-7 | 3-Pyridin-3-yl-benzoic acid
CAS No: 4385-77-7 Catalog No: AG003I2N MDL No:MFCD03426512
Product Description
Catalog Number:
AG003I2N
Chemical Name:
3-Pyridin-3-yl-benzoic acid
CAS Number:
4385-77-7
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD03426512
IUPAC Name:
3-pyridin-3-ylbenzoic acid
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
SMILES:
OC(=O)c1cccc(c1)c1cccnc1
Properties
Complexity:
230
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 |
|---|---|
| catena-Poly[zinc(II)-bis-[μ(2)-3-(3-pyrid-yl)-benzoato]-κO:N;κN:O]. | Acta crystallographica. Section E, Structure reports online 20110701 |
| Ambidentate ligands capable of variable bond angles in the coordination-driven self-assembly of discrete Pt macrocycles. | The Journal of organic chemistry 20060818 |
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