Structure Database (LMSD)
Common Name
cis,cis-muconic acid
Systematic Name
2Z,4Z-hexadienedioic acid
Synonyms
3D model of cis,cis-muconic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
TXXHDPDFNKHHGW-CCAGOZQPSA-N
InChi (Click to copy)
InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-
SMILES (Click to copy)
C(=O)(O)/C=C\C=C/C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
136.96
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
0.27
Molar Refractivity
33.55
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Created at
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Updated at
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