Structure Database (LMSD)
Common Name
2,6Z-Nonadien-4-olide
Systematic Name
2,6Z-Nonadien-4-olide
Synonyms
3D model of 2,6Z-Nonadien-4-olide
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)
LBJZIOKZMWWEQD-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C9H12O2/c1-2-3-4-5-8-6-7-9(10)11-8/h3-4,6-8H,2,5H2,1H3/b4-3-
SMILES (Click to copy)
C1(OC(C/C=C\CC)C=C1)=O
References
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
1
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
161.56
Topological Polar Surface Area
28.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.11
Molar Refractivity
43.58
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Created at
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Updated at
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