Structure Database (LMSD)

Common Name
4,5-hexadienal
Systematic Name
4,5-hexadienal
Synonyms
LM ID
LMFA06000007
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)
KURWGNIBBUMVKB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H8O/c1-2-3-4-5-6-7/h3,6H,1,4-5H2
SMILES (Click to copy)
C=C=CCCC([H])=O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 113.23
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 1.31
Molar Refractivity 29.01

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Created at
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Updated at
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