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2,5-pyridinedicarboxylic acid N-oxide

Catalog Number
ACM32658541-1
CAS Number
32658-54-1
Product Name
2,5-pyridinedicarboxylic acid N-oxide
Structure
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
IUPAC Name
1-oxidopyridin-1-ium-2,5-dicarboxylic acid
Molecular Weight
183.12g/mol
Molecular Formula
C7H5NO5
InChI
InChI=1S/C7H5NO5/c9-6(10)4-1-2-5(7(11)12)8(13)3-4/h1-3H,(H,9,10)(H,11,12)
InChI Key
GSYUIHFCQJNUMT-UHFFFAOYSA-N
Complexity
229
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
183.01677226g/mol
Formal Charge
0
Heavy Atom Count
13
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Length
~50 um
Monoisotopic Mass
183.01677226g/mol
Rotatable Bond Count
2
SSA
>350m2/g
Topological Polar Surface Area
100Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
-0.2
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