Structure Database (LMSD)
Common Name
Vinyl acetic acid
Systematic Name
3-butenoic acid
Synonyms
- C4:1n-1
3D model of Vinyl acetic 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)
PVEOYINWKBTPIZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)
SMILES (Click to copy)
C=CCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
6
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
90.06
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
0.65
Molar Refractivity
22.45
Admin
Created at
-
Updated at
25th Apr 2022