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5-Phenoxypyridine-3-carbaldehyde

CAT: 0127-OR1095093Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1095093Size:250 mg
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CAS Number
936344-54-6
MDL Number
MFCD20038721
Purity
97%
Smiles
C1 (cncc (c1) C=O) Oc1ccccc1

Chemical Information

5-Phenoxypyridine-3-carbaldehyde
CAS Number936344-54-6
PubChem CID59255438
IUPAC Name5-phenoxypyridine-3-carbaldehyde
Molecular FormulaC12H9NO2
Molecular Weight199.20
XLogP1.8
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity202
SMILES
C1=CC=C(C=C1)OC2=CN=CC(=C2)C=O
InChI
InChI=1S/C12H9NO2/c14-9-10-6-12(8-13-7-10)15-11-4-2-1-3-5-11/h1-9H
InChIKey
DPYMIBYCPATSTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Phenoxypyridine-3-carbaldehyde
CAS: 936344-54-6
CID: 59255438
Formula: C12H9NO2
MW: 199.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.20
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass199.063328530
Monoisotopic Mass199.063328530
Topological Polar Surface Area39.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity202
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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CatalogName
288213-013-Phenoxypyridine
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MBS9024945-015-Phenoxypyridine-3-boronic acid pinacol ester
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