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5-Acetyl-2-methylpyridine

CAT: 0931-TN9631-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9631-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36357-38-7
Target
Others
Related Pathways
Others
Purity
0.9984
Bioactivity
5-Acetyl-2-methylpyridine is a pyridine derivative widely used in biochemical experiments and drug synthesis research.
Smiles
O=C(C1=CN=C(C=C1)C)C
Molecular Formula
C8H9NO
Molecular Weight
135.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Acetyl-6-methylpyridine
CAS Number36357-38-7
PubChem CID95292
IUPAC Name1-(6-methyl-3-pyridinyl)ethanone
Molecular FormulaC8H9NO
Molecular Weight135.16
XLogP0.9
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity133
SMILES
CC1=NC=C(C=C1)C(=O)C
InChI
InChI=1S/C8H9NO/c1-6-3-4-8(5-9-6)7(2)10/h3-5H,1-2H3
InChIKey
PVRYOKQFLBSILA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Acetyl-6-methylpyridine
CAS: 36357-38-7
CID: 95292
Formula: C8H9NO
MW: 135.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.16
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass135.068413911
Monoisotopic Mass135.068413911
Topological Polar Surface Area30 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
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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