Home Pyridines 4385-77-7
4385-77-7,MFCD03426512
Catalog No.:AA003HZV
4385-77-7 | 3-(Pyridin-3-yl)benzoic acid
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1g
98%
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$58.00   $40.00
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5g
98%
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$265.00   $185.00
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003HZV
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
Computed 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  

Synonyms
 
4385-77-7 
3-Pyridin-3-yl-benzoic acid 
AC1MDTOS 
ACMC-1BMXH 
3-(3'-Pyridyl)benzoicacid 
3-(3-Carboxyphenyl)pyridine 
3-(3-pyridyl)-benzoic acid 
SCHEMBL206541 
Benzoic acid,3-(3-pyridinyl)- 
CTK4I7824 
DTXSID50383794 
PXASTGBSGPFLFJ-UHFFFAOYSA-N 
3-(Pyridin-3-yl)benzoic acid 
ZINC2581037 
ANW-30034 
BDBM50195792 
MFCD03426512 
SBB052793 
AKOS004114007 
AB14986 
AC-6448 
AN-9996 
FG-0446 
3-(3'-Pyridyl)benzoic acid 
MCULE-7237663054 
RP04205 
VZ25957 
3-(3-Pyridinyl)benzoic acid, AldrichCPR 
AJ-42969 
AK-17702 
BR-17702 
SC-48500 
AB0024935 
DB-001797 
3-(3-Pyridinyl)benzoic acid 
TR-016994 
4CH-007578 
BB 0222737 
FT-0635263 
ST24028618 
ST50949584 
W6301 
KS-00000135 
A-2923 
Q-103091 
3-pyrid-3-ylbenzoic acid 
Q-103092 
5F8 
3- benzoicacid 
4-(3'-Pyridyl)benzoic acid 
C12H9NO2 
CID2795575 
A7014 
3-(3'-Pyridyl)benzoic acid, 97% - 1G 1g 
3-(3-pyridyl)benzoic acid 
3-pyridin-3-ylbenzoic Acid 
BENZOIC ACID, 3-(3-PYRIDINYL)- 
CHEMBL3896367 
Literature

Title: catena-Poly[zinc(II)-bis-[μ(2)-3-(3-pyrid-yl)-benzoato]-κO:N;κN:O].

Journal: Acta crystallographica. Section E, Structure reports online 20110701

Title: Ambidentate ligands capable of variable bond angles in the coordination-driven self-assembly of discrete Pt macrocycles.

Journal: The Journal of organic chemistry 20060818

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