Structure Database (LMSD)
Common Name
3-oxo-nonadecanoic acid
Systematic Name
3-oxo-nonadecanoic acid
Synonyms
3D model of 3-oxo-nonadecanoic 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)
SFGWEVNROKIRBY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19(21)22/h2-17H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CC(=O)CCCCCCCCCCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
358.35
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.90
Molar Refractivity
92.19
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Created at
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Updated at
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