Structure Database (LMSD)
Common Name
(E)-hex-2-enedioic acid
Systematic Name
2E-hexenedioic acid
Synonyms
- trans-2,3-dehydroadipic acid
- trans-2,3-didehydroadipic acid
- trans-2-hexenedioic acid
3D model of (E)-hex-2-enedioic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
HSBSUGYTMJWPAX-HNQUOIGGSA-N
InChi (Click to copy)
InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,7,8)(H,9,10)/b3-1+
SMILES (Click to copy)
C(C/C=C/C(O)=O)C(O)=O
References
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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