Structure Database (LMSD)

Common Name
Adipaldehyde
Systematic Name
hexanedial
Synonyms
  • Adipic dialdehyde
LM ID
LMFA06000008
Status
Active
Exact Mass
Calculate m/z
114.06808
Formula
Abbrev


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)
UMHJEEQLYBKSAN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h5-6H,1-4H2
SMILES (Click to copy)
C(=O)([H])CCCCC([H])=O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 124.66
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 0.94
Molar Refractivity 30.60

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Updated at
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