Structure Database (LMSD)
Common Name
3-hexynoic acid
Systematic Name
3-hexynoic acid
Synonyms
- 3-Hexynoic acid
3D model of 3-hexynoic 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)
JHBKYZNFFMIFDA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2,5H2,1H3,(H,7,8)
SMILES (Click to copy)
C(CC#CCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
122.02
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
0.87
Molar Refractivity
30.32
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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Admin
Created at
-
Updated at
25th Apr 2022