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2,6-Pyridinedicarboxaldehyde

CAT: 1489-PQ0030-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:1489-PQ0030-01Size:250 mg
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CAS Number
5431-44-7
Purity
0.98

Chemical Information

2,6-Diformylpyridine

structure in first source

CAS Number5431-44-7
PubChem CID79485
IUPAC Namepyridine-2,6-dicarbaldehyde
Molecular FormulaC7H5NO2
Molecular Weight135.12
XLogP0.4
Topological Polar Surface Area47
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity122
SMILES
C1=CC(=NC(=C1)C=O)C=O
InChI
InChI=1S/C7H5NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-5H
InChIKey
PMWXGSWIOOVHEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Diformylpyridine
CAS: 5431-44-7
CID: 79485
Formula: C7H5NO2
MW: 135.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight135.12
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass135.032028402
Monoisotopic Mass135.032028402
Topological Polar Surface Area47 Ų
Heavy Atom Count10
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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