Structure Database (LMSD)
Common Name
Butan-2-one
Systematic Name
Butan-2-one
Synonyms
3D model of Butan-2-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
ZWEHNKRNPOVVGH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
SMILES (Click to copy)
CC(=O)CC
References
Calculated Physicochemical Properties
Heavy Atoms
5
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
83.91
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
0.99
Molar Refractivity
20.97
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Created at
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Updated at
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