Structure Database (LMSD)
Common Name
2-hydroxy-Heptan-3-one
Systematic Name
2-hydroxy-Heptan-3-one
Synonyms
3D model of 2-hydroxy-Heptan-3-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
KTKQJWVLAMSBTM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O2/c1-3-4-5-7(9)6(2)8/h6,8H,3-5H2,1-2H3
SMILES (Click to copy)
CC(O)C(=O)CCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
144.60
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.41
Molar Refractivity
36.72
Admin
Created at
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Updated at
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