Structure Database (LMSD)

Common Name
cis,cis-muconic acid
Systematic Name
2Z,4Z-hexadienedioic acid
Synonyms
LM ID
LMFA01170077
Formula
Exact Mass
Calculate m/z
142.02661
Sum Composition
Status
Active


Main

Classification

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

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PDB ID

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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