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6-Propoxy-3-pyridinecarboxaldehyde

CAT: 0127-OR1094208-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1094208-01Size:250 mg
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CAS Number
85259-48-9
MDL Number
MFCD14582868
Purity
95%
Smiles
O (CCC) c1ccc (C=O) cn1

Chemical Information

2-Propoxy-5-pyridinecarbaldehyde
CAS Number85259-48-9
PubChem CID79002144
IUPAC Name6-propoxypyridine-3-carbaldehyde
Molecular FormulaC9H11NO2
Molecular Weight165.19
XLogP1.5
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity138
SMILES
CCCOC1=NC=C(C=C1)C=O
InChI
InChI=1S/C9H11NO2/c1-2-5-12-9-4-3-8(7-11)6-10-9/h3-4,6-7H,2,5H2,1H3
InChIKey
MFIYHHBEGFWQNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Propoxy-5-pyridinecarbaldehyde
CAS: 85259-48-9
CID: 79002144
Formula: C9H11NO2
MW: 165.19
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.19
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass165.078978594
Monoisotopic Mass165.078978594
Topological Polar Surface Area39.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity138
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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