CAS 39911-72-3 3,5-pyridinedicarboxylic acid N-oxide

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3,5-pyridinedicarboxylic acid N-oxide

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Catalog Number

ACM39911723-1

CAS Number

39911-72-3

Product Name

3,5-pyridinedicarboxylic acid N-oxide

Structure

Category

Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand

IUPAC Name

1-oxidopyridin-1-ium-3,5-dicarboxylic acid

Molecular Weight

183.12g/mol

Molecular Formula

C7H5NO5

InChI

InChI=1S/C7H5NO5/c9-6(10)4-1-5(7(11)12)3-8(13)2-4/h1-3H,(H,9,10)(H,11,12)

InChI Key

WDSXNMIWCDXWJS-UHFFFAOYSA-N

Complexity

207

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

183.01677226g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

183.01677226g/mol

Rotatable Bond Count

Topological Polar Surface Area

100Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

-1.1

MSDS

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COA

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Spec Sheet

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