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
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
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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