Structure Database (LMSD)

Common Name
Nonan-2,5-dione
Systematic Name
Nonan-2,5-dione
Synonyms
LM ID
LMFA12000244
Status
Active
Exact Mass
Calculate m/z
156.11503
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)
LWOMTZPPFKJNPA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-3-4-5-9(11)7-6-8(2)10/h3-7H2,1-2H3
SMILES (Click to copy)
CC(=O)CCC(=O)CCCC

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 176.56
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.11
Molar Refractivity 44.45

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Created at
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Updated at
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