Structure Database (LMSD)
Common Name
3E-Hexene-2-one
Systematic Name
3E-Hexene-2-one
Synonyms
3D model of 3E-Hexene-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)
LPCWMYHBLXLJJQ-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C6H10O/c1-3-4-5-6(2)7/h4-5H,3H2,1-2H3/b5-4+
SMILES (Click to copy)
CC(=O)/C=C/CC
References
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
115.87
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
1.54
Molar Refractivity
30.11
Admin
Created at
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Updated at
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