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Home Other Building Blocks 4-(pyridin-2-ylmethoxy)benzoic acid

4-(pyridin-2-ylmethoxy)benzoic acid

CAS No.:
50596-36-6
Catalog Number:
AG019PX1
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
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Product Description
Catalog Number:
AG019PX1
Chemical Name:
4-(pyridin-2-ylmethoxy)benzoic acid
CAS Number:
50596-36-6
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD08098737
IUPAC Name:
4-(pyridin-2-ylmethoxy)benzoic acid
InChI:
InChI=1S/C13H11NO3/c15-13(16)10-4-6-12(7-5-10)17-9-11-3-1-2-8-14-11/h1-8H,9H2,(H,15,16)
InChI Key:
FONKVXGQOAAQSQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)OCc1ccccn1
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Hexaaqua-cobalt(II) bis-[4-(pyridin-2-yl-meth-oxy)benzoate] dihydrate. Acta crystallographica. Section E, Structure reports online 20111101
Hexaaqua-manganese(II) bis-[4-(pyridin-2-ylmeth-oxy)benzoate] dihydrate. Acta crystallographica. Section E, Structure reports online 20111101
Properties