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13764-20-0 | Benzoic acid, 2-(2-pyridinyl)-
CAS No: 13764-20-0 Catalog No: AG0013O4 MDL No:MFCD11848836
Product Description
Catalog Number:
AG0013O4
Chemical Name:
Benzoic acid, 2-(2-pyridinyl)-
CAS Number:
13764-20-0
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD11848836
IUPAC Name:
2-pyridin-2-ylbenzoic acid
InChI:
InChI=1S/C12H9NO2/c14-12(15)10-6-2-1-5-9(10)11-7-3-4-8-13-11/h1-8H,(H,14,15)
InChI Key:
KTSUSQZZJTZSFA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1c1ccccn1
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 |
|---|---|
| Tetra-aqua-bis-[3-(pyridin-4-yl)benzoato-κN]manganese(II). | Acta crystallographica. Section E, Structure reports online 20120501 |
| Tetra-aqua-bis-[3-(pyridin-4-yl)benzoato-κN]cobalt(II). | Acta crystallographica. Section E, Structure reports online 20111201 |
| A novel helical double-layered cobalt(II)-organic framework with tetranuclear [Co4(mu3-OH)2] clusters linked by an unsymmetrical pyridylbenzoate ligand. | Inorganic chemistry 20071029 |
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