Structure Database (LMSD)
Common Name
7-Oxotetradecanoic acid
Systematic Name
7-Oxotetradecanoic acid
Synonyms
3D model of 7-Oxotetradecanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
CDYSHNKYPKNGES-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O3/c1-2-3-4-5-7-10-13(15)11-8-6-9-12-14(16)17/h2-12H2,1H3,(H,16,17)
SMILES (Click to copy)
C(CCCCCC(=O)CCCCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
271.85
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.95
Molar Refractivity
69.10
Admin
Created at
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Updated at
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