Structure Database (LMSD)

Common Name
Sorbaldehyde
Systematic Name
2,4-hexadienal
Synonyms
  • Sorbic aldehyde
LM ID
LMFA06000006
Status
Active
Exact Mass
Calculate m/z
96.057515
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)
BATOPAZDIZEVQF-MQQKCMAXSA-N
InChi (Click to copy)
InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+
SMILES (Click to copy)
C/C=C/C=C/C([H])=O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 113.23
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 1.32
Molar Refractivity 30.02

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Created at
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Updated at
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