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15905-16-5

15905-16-5 | 2,6-Pyridinedicarboxylic acid, 1-oxide

CAS No: 15905-16-5 Catalog No: AG001QG6 MDL No:

Product Description

Catalog Number:
AG001QG6
Chemical Name:
2,6-Pyridinedicarboxylic acid, 1-oxide
CAS Number:
15905-16-5
Molecular Formula:
C7H5NO5
Molecular Weight:
183.1183
IUPAC Name:
1-oxidopyridin-1-ium-2,6-dicarboxylic acid
InChI:
InChI=1S/C7H5NO5/c9-6(10)4-2-1-3-5(7(11)12)8(4)13/h1-3H,(H,9,10)(H,11,12)
InChI Key:
JWCYHGVYVDMHQT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc([n+]1[O-])C(=O)O
EC Number:
240-043-4
NSC Number:
78435

Properties

Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.017g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.119g/mol
Monoisotopic Mass:
183.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

Literature

Title Journal
catena-Poly[[[aqua-(pyridine-2,6-dicarboxyl-ato N-oxide-κO,O)cobalt(II)]-μ-1,3-di-4-pyridylpropane-κN:N'] dihydrate]. Acta crystallographica. Section E, Structure reports online 20081101

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