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
Main
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
References
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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