Structure Database (LMSD)
Common Name
Levulinic acid
Systematic Name
4-oxo-pentanoic acid
Synonyms
- Levulic acid
3D model of Levulinic 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)
JOOXCMJARBKPKM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
SMILES (Click to copy)
CC(=O)CCC(=O)O
Other Databases
Wikipedia
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0390
PubChem CID
PlantFA ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
116.15
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
0.44
Molar Refractivity
27.55
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Created at
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Updated at
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