Structure Database (LMSD)
Common Name
3-hexenedioic acid
Systematic Name
3E-hexenedioic acid
Synonyms
3D model of 3-hexenedioic 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)
YHGNXQAFNHCBTK-OWOJBTEDSA-N
InChi (Click to copy)
InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+
SMILES (Click to copy)
C(=O)(O)C/C=C/CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
139.60
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
0.49
Molar Refractivity
33.65
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Created at
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Updated at
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