Structure Database (LMSD)
Common Name
3E-Nonen-2,5-dione
Systematic Name
3E-Nonen-2,5-dione
Synonyms
3D model of 3E-Nonen-2,5-dione
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
JVDFOBAEQVATET-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C9H14O2/c1-3-4-5-9(11)7-6-8(2)10/h6-7H,3-5H2,1-2H3/b7-6+
SMILES (Click to copy)
CC(=O)/C=C/C(=O)CCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
173.92
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.89
Molar Refractivity
44.35
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Created at
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Updated at
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