Structure Database (LMSD)
Common Name
(2E,4Z)-2-hydroxy-6-oxohexa-2,4-dienoic acid
Systematic Name
(2E,4Z)-2-hydroxy-6-oxohexa-2,4-dienoic acid
Synonyms
- 2-hydroxymuconic semialdehyde
3D model of (2E,4Z)-2-hydroxy-6-oxohexa-2,4-dienoic 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)
KGLCZTRXNNGESL-REDYYMJGSA-N
InChi (Click to copy)
InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)/b2-1-,5-3+
SMILES (Click to copy)
O/C(/C(O)=O)=C/C=C\C([H])=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
136.96
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
0.27
Molar Refractivity
33.55
Admin
Created at
-
Updated at
-