Structure Database (LMSD)
Common Name
Propan-2-one
Systematic Name
Propan-2-one
Synonyms
3D model of Propan-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)
CSCPPACGZOOCGX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
SMILES (Click to copy)
CC(=O)C
References
Calculated Physicochemical Properties
Heavy Atoms
4
Rings
0
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
66.61
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
0.60
Molar Refractivity
16.36
Admin
Created at
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Updated at
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