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
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
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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