Structure Database (LMSD)
Common Name
3-oxopimelic acid
Systematic Name
3-oxoheptanedioic acid
Synonyms
- 3-Ketoheptanedioic acid
3D model of 3-oxopimelic 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)
IYNRULSFFKEOLT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H10O5/c8-5(4-7(11)12)2-1-3-6(9)10/h1-4H2,(H,9,10)(H,11,12)
SMILES (Click to copy)
C(C(=O)CCCC(O)=O)C(O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
165.69
Topological Polar Surface Area
91.67
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
0.29
Molar Refractivity
38.75
Admin
Created at
-
Updated at
-