Structure Database (LMSD)
Common Name
tetrachloro-cis,cis-muconic acid
Systematic Name
(2Z,4Z)-2,3,4,5-tetrachlorohexa-2,4-dienedioic acid
Synonyms
- (Z,Z)-2,3,4,5-tetrachloro-2,4-hexadienedioic acid
LM ID
LMFA01090156
Formula
C6H2O4Cl4
Exact Mass
Calculate m/z
277.870722
Status
Active
3D model of tetrachloro-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)
OPEJMVTXTHBTBS-CCAGOZQPSA-N
InChi (Click to copy)
InChI=1S/C6H2Cl4O4/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h(H,11,12)(H,13,14)/b3-1-,4-2-
SMILES (Click to copy)
C(O)(=O)/C(/Cl)=C(/Cl)\C(\Cl)=C(\Cl)/C(O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
197.80
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
2.53
Molar Refractivity
52.74
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Created at
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Updated at
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