Structure Database (LMSD)
Common Name
Adipic acid
Systematic Name
Hexanedioic acid
Synonyms
3D model of Adipic 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)
WNLRTRBMVRJNCN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
SMILES (Click to copy)
C(CCCCC(=O)O)(=O)O
References
Other Databases
Wikipedia
LIPIDAT ID
1822
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
SwissLipids ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
142.24
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
0.72
Molar Refractivity
33.74
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Created at
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Updated at
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