Structure Database (LMSD)
Common Name
cis-hex-3-enoic acid
Systematic Name
3Z-hexenoic acid
Synonyms
- (3Z)-3-Hexenoic acid
- (Z)-3-Hexenoic acid
- cis-3-Hexenoic acid
- C6:1n-3
3D model of cis-hex-3-enoic 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
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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String Representations
InChiKey (Click to copy)
XXHDAWYDNSXJQM-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3-
SMILES (Click to copy)
O=C(O)C/C=C\CC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
124.66
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.43
Molar Refractivity
31.68
Admin
Created at
-
Updated at
25th Apr 2022