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3-Pyridyloxyacetic acid

CAS No.:
86649-57-2
Catalog Number:
AG004KXN
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
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Product Description
Catalog Number:
AG004KXN
Chemical Name:
3-Pyridyloxyacetic acid
CAS Number:
86649-57-2
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD04039772
IUPAC Name:
2-pyridin-3-yloxyacetic acid
InChI:
InChI=1S/C7H7NO3/c9-7(10)5-11-6-2-1-3-8-4-6/h1-4H,5H2,(H,9,10)
InChI Key:
MBEPWLCDXKKANL-UHFFFAOYSA-N
SMILES:
OC(=O)COc1cccnc1
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
A two-dimensional iron(II) carboxylate linear chain polymer that exhibits a metamagnetic spin-canted antiferromagnetic to single-chain magnetic transition. Inorganic chemistry 20080519
Properties