Structure Database (LMSD)
Common Name
9-Keto heptadecylic acid
Systematic Name
9-oxo-heptadecanoic acid
Synonyms
- 9-keto margaric acid
3D model of 9-Keto heptadecylic 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)
WZSITNWWIVIACY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O3/c1-2-3-4-5-7-10-13-16(18)14-11-8-6-9-12-15-17(19)20/h2-15H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCC(=O)CCCCCCCC)CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
323.75
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.12
Molar Refractivity
82.95
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Created at
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Updated at
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