Structure Database (LMSD)
Common Name
4-hydroxy-2-oxo-Heptanedioic acid
Systematic Name
4-hydroxy-2-oxo-Heptanedioic acid
Synonyms
3D model of 4-hydroxy-2-oxo-Heptanedioic 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)
HNOAJOYERZTSNK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)
SMILES (Click to copy)
C(C(=O)CC(O)CCC(=O)O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
174.48
Topological Polar Surface Area
111.90
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
-0.46
Molar Refractivity
40.65
Admin
Created at
-
Updated at
-