Structure Database (LMSD)
Common Name
3-keto stearic acid
Systematic Name
3-oxo-octadecanoic acid
Synonyms
3D model of 3-keto stearic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
YQGGUZWHNVQJMF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h2-16H2,1H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCCCCCCCCC)CC(=O)CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
341.05
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.51
Molar Refractivity
87.57
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Created at
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Updated at
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