Structure Database (LMSD)
Common Name
2-carboxy-cis,cis-muconic acid
Systematic Name
(3Z)-buta-1,3-diene-1,1,4-tricarboxylic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2-carboxy-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)
SLUDRBHRUDRZJZ-IWQZZHSRSA-N
InChi (Click to copy)
InChI=1S/C7H6O6/c8-5(9)3-1-2-4(6(10)11)7(12)13/h1-3H,(H,8,9)(H,10,11)(H,12,13)/b3-1-
SMILES (Click to copy)
C(/C(O)=O)(\C(O)=O)=C/C=C\C(O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
169.20
Topological Polar Surface Area
111.90
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
-0.28
Molar Refractivity
40.13
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Created at
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Updated at
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