Structure Database (LMSD)
Common Name
3-oxo-adipic acid
Systematic Name
3-oxo-hexanedioic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3-oxo-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)
RTGHRDFWYQHVFW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)
SMILES (Click to copy)
C(=O)(O)CC(=O)CCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
148.39
Topological Polar Surface Area
91.67
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
-0.11
Molar Refractivity
34.13
Admin
Created at
-
Updated at
-