Structure Database (LMSD)

O O O
Common Name
3-Acetyldihydro-2(3H)-furanone
Systematic Name
3-Acetyldihydro-2(3H)-furanone
Synonyms
LM ID
LMFA07040005
Formula
C6H8O3
Exact Mass
Calculate m/z
128.047345
Sum Composition
FA 6:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
OMQHDIHZSDEIFH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3
SMILES (Click to copy)
C1COC(=O)C1C(=O)C

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
179633
PubChem CID
10601

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 121.09
Topological Polar Surface Area 45.44
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 0.42
Molar Refractivity 30.24

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Created at
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Updated at
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