Structure Database (LMSD)
Common Name
3-Hepten-2-one
Systematic Name
3-Hepten-2-one
Synonyms
3D model of 3-Hepten-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)
JHHZQADGLDKIPM-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+
SMILES (Click to copy)
CC(=O)/C=C/CCC
References
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
133.17
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
1.93
Molar Refractivity
34.73
Admin
Created at
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Updated at
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