Structure Database (LMSD)
Common Name
2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid
Systematic Name
2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid
Synonyms
3D model of 2-hydroxy-4-oxobutane-1,2,4-tricarboxylic 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)
RQMCNDRMPZBEOD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H8O8/c8-3(5(11)12)1-7(15,6(13)14)2-4(9)10/h15H,1-2H2,(H,9,10)(H,11,12)(H,13,14)
SMILES (Click to copy)
C(C(=O)O)C(O)(C(O)=O)CC(=O)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
189.42
Topological Polar Surface Area
149.20
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
8
logP
-1.39
Molar Refractivity
42.61
Admin
Created at
-
Updated at
-