Structure Database (LMSD)
Common Name
Suberic acid
Systematic Name
1,8-octanedioic acid
Synonyms
- Cork acid
3D model of Suberic 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)
TYFQFVWCELRYAO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
SMILES (Click to copy)
OC(CCCCCCC(=O)O)=O
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
SwissLipids ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
176.84
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
1.50
Molar Refractivity
42.97
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Created at
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Updated at
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