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Compound PDK0071

CAT: 0013-GTR19270188-02Size: 2 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19270188-02Size:2 g
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Description
Compound PDK0071, with CAS No. 14529-53-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0071 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
14529-53-4
Purity
99.60% (May vary between batches)
Smiles
CCOc1ccccn1
Molecular Formula
C7H9NO
Molecular Weight
123.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Ethoxypyridine
CAS Number14529-53-4
PubChem CID84499
IUPAC Name2-ethoxypyridine
Molecular FormulaC7H9NO
Molecular Weight123.15
XLogP1.8
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity75
SMILES
CCOC1=CC=CC=N1
InChI
InChI=1S/C7H9NO/c1-2-9-7-5-3-4-6-8-7/h3-6H,2H2,1H3
InChIKey
LISKAOIANGDBTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethoxypyridine
CAS: 14529-53-4
CID: 84499
Formula: C7H9NO
MW: 123.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight123.15
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass123.068413911
Monoisotopic Mass123.068413911
Topological Polar Surface Area22.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity75.3
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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