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6-Ethoxypyridine-2-carbaldehyde

CAT: 0127-OR1036141-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1036141-01Size:50 mg
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CAS Number
85259-47-8
Purity
97%
Smiles
CCOC1=CC=CC(=N1)C=O

Chemical Information

6-Ethoxypyridine-2-carbaldehyde
CAS Number85259-47-8
PubChem CID45083730
IUPAC Name6-ethoxypyridine-2-carbaldehyde
Molecular FormulaC8H9NO2
Molecular Weight151.16
XLogP1.4
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity127
SMILES
CCOC1=CC=CC(=N1)C=O
InChI
InChI=1S/C8H9NO2/c1-2-11-8-5-3-4-7(6-10)9-8/h3-6H,2H2,1H3
InChIKey
WRWZDKXPVBFYLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Ethoxypyridine-2-carbaldehyde
CAS: 85259-47-8
CID: 45083730
Formula: C8H9NO2
MW: 151.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.16
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass151.063328530
Monoisotopic Mass151.063328530
Topological Polar Surface Area39.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity127
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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Alternative Products

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TRC-E937885-100MG2-Ethoxypyridine
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