Structure Database (LMSD)

Common Name
2,4-dichloro-cis,cis-muconic acid
Systematic Name
(2E,4E)-2,4-dichlorohexa-2,4-dienedioic acid
Synonyms
  • (E,E)-2,4-dichloro-2,4-hexadienedioic acid
LM ID
LMFA01090151
Status
Active
Exact Mass
Calculate m/z
209.948666
Formula


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)
FHXOPKKNGKBBKG-DXLKSGPOSA-N
InChi (Click to copy)
InChI=1S/C6H4Cl2O4/c7-3(2-5(9)10)1-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12)/b3-2+,4-1+
SMILES (Click to copy)
C(O)(=O)/C=C(/Cl)\C=C(\Cl)/C(O)=O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 167.38
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 1.40
Molar Refractivity 43.14

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Created at
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Updated at
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