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3-Acetylpyridine

CAT: 1489-A5800-02Size: 10 gDry Ice: NoHazardous: No
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CAT#:1489-A5800-02Size:10 g
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CAS Number
350-03-8
Purity
0.98

Chemical Information

3-Acetylpyridine

3-Acetylpyridine is an aromatic ketone.

CAS Number350-03-8
PubChem CID9589
IUPAC Name1-pyridin-3-ylethanone
Molecular FormulaC7H7NO
Molecular Weight121.14
XLogP0.4
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity111
SMILES
CC(=O)C1=CN=CC=C1
InChI
InChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3
InChIKey
WEGYGNROSJDEIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Acetylpyridine
CAS: 350-03-8
CID: 9589
Formula: C7H7NO
MW: 121.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight121.14
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass121.052763847
Monoisotopic Mass121.052763847
Topological Polar Surface Area30 Ų
Heavy Atom Count9
Formal Charge0
Complexity111
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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