Structure Database (LMSD)

Common Name
Muconic dialdehyde
Systematic Name
2,4-hexadienedial
Synonyms
  • 2,4-hexadienedial
LM ID
LMFA06000011
Status
Active
Exact Mass
Calculate m/z
110.03678
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)
NDCAAPXLWRAESY-ZPUQHVIOSA-N
InChi (Click to copy)
InChI=1S/C6H6O2/c7-5-3-1-2-4-6-8/h1-6H/b3-1+,4-2+
SMILES (Click to copy)
C(=O)([H])/C=C/C=C/C([H])=O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 119.38
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 0.50
Molar Refractivity 30.41

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Created at
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Updated at
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