Structure Database (LMSD)
Common Name
Hexane-2,3-dione
Systematic Name
Hexane-2,3-dione
Synonyms
3D model of Hexane-2,3-dione
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)
MWVFCEVNXHTDNF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3
SMILES (Click to copy)
CC(=O)C(=O)CCC
References
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
124.66
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
0.94
Molar Refractivity
30.60
Admin
Created at
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Updated at
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