Structure Database (LMSD)
Common Name
Muconic dialdehyde
Systematic Name
2,4-hexadienedial
Synonyms
- 2,4-hexadienedial
3D model of Muconic dialdehyde
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
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
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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