Structure Database (LMSD)
Common Name
(2E,4Z)-4-hydroxy-6-oxohexa-2,4-dienoic acid
Systematic Name
(2E,4Z)-4-hydroxy-6-oxohexa-2,4-dienoic acid
Synonyms
- (2E,4Z)-4-hydroxymuconic semialdehyde
3D model of (2E,4Z)-4-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)
NJOJKLHNRGFVOS-WFTYEQLWSA-N
InChi (Click to copy)
InChI=1S/C6H6O4/c7-4-3-5(8)1-2-6(9)10/h1-4,8H,(H,9,10)/b2-1+,5-3-
SMILES (Click to copy)
O=C/C=C(\O)/C=C/C(=O)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
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Created at
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Updated at
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