Structure Database (LMSD)
Common Name
3-oxo-4-pentenoic acid
Systematic Name
3-oxo-4-pentenoic acid
Synonyms
- 4-Pentenoic acid, 3-oxo-
3D model of 3-oxo-4-pentenoic 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)
KSSFGJUSMXZBDD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H6O3/c1-2-4(6)3-5(7)8/h2H,1,3H2,(H,7,8)
SMILES (Click to copy)
C(CC(=O)C=C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
113.51
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
0.22
Molar Refractivity
27.46
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Created at
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Updated at
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