Structure Database (LMSD)

Common Name
3E-Nonen-2,5-dione
Systematic Name
3E-Nonen-2,5-dione
Synonyms
LM ID
LMFA12000242
Status
Active
Exact Mass
Calculate m/z
154.09938
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

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

References

Other Databases

CHEBI ID
PubChem CID

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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