Structure Database (LMSD)
Common Name
3-Buten-2-one
Systematic Name
3-Buten-2-one
Synonyms
3D model of 3-Buten-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)
FUSUHKVFWTUUBE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3
SMILES (Click to copy)
CC(=O)C=C
References
Calculated Physicochemical Properties
Heavy Atoms
5
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
81.27
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
0.76
Molar Refractivity
20.88
Admin
Created at
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Updated at
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