Structure Database (LMSD)
Common Name
Furocarpic acid
Systematic Name
8-(5-hexyl-furan-2-yl)-octanoic acid
Synonyms
3D model of Furocarpic 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)
SZNVIDWMWMWUCY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-4-8-11-16-14-15-17(21-16)12-9-6-5-7-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)
SMILES (Click to copy)
C1C=C(CCCCCCCC(=O)O)OC=1CCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
1
Rotatable Bonds
13
Van der Waals Molecular Volume
315.15
Topological Polar Surface Area
50.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.37
Molar Refractivity
85.60
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Created at
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Updated at
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