Structure Database (LMSD)
Common Name
3,4-Hexanedione
Systematic Name
3,4-Hexanedione
Synonyms
- Hexane-3,4-dione
3D model of 3,4-Hexanedione
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)
KVFQMAZOBTXCAZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3
SMILES (Click to copy)
CCC(=O)C(=O)CC
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
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Created at
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Updated at
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