Structure Database (LMSD)

Common Name
3E-Nonen-2-one
Systematic Name
3E-Nonen-2-one
Synonyms
LM ID
LMFA12000133
Status
Active
Exact Mass
Calculate m/z
140.120115
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)
HDKLIZDXVUCLHQ-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+
SMILES (Click to copy)
CC(=O)/C=C/CCCCC

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 167.77
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.71
Molar Refractivity 43.96

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Created at
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Updated at
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