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2-Butyrylpyridine

CAT: 0013-GTR19254805-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254805-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Butyrylpyridine is a pyridine derivative widely used in biochemical experiments and drug synthesis research.
CAS Number
22971-32-0
Purity
98.00% (May vary between batches)
Smiles
O=C (C1=NC=CC=C1) CCC
Molecular Formula
C9H11NO
Molecular Weight
149.19
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year
Notes
For research use only.

Chemical Information

1-(Pyridin-2-yl)butan-1-one
CAS Number22971-32-0
PubChem CID556348
IUPAC Name1-pyridin-2-ylbutan-1-one
Molecular FormulaC9H11NO
Molecular Weight149.19
XLogP1.7
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
CCCC(=O)C1=CC=CC=N1
InChI
InChI=1S/C9H11NO/c1-2-5-9(11)8-6-3-4-7-10-8/h3-4,6-7H,2,5H2,1H3
InChIKey
IWVHZRXWFIWOMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Pyridin-2-yl)butan-1-one
CAS: 22971-32-0
CID: 556348
Formula: C9H11NO
MW: 149.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.19
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass149.084063974
Monoisotopic Mass149.084063974
Topological Polar Surface Area30 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
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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