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
Formula
C6H4O4Cl2
Exact Mass
Calculate m/z
209.948666
Status
Active

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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