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Trans-trans-Muconic acid

CAT: 1410-M20676-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M20676-01Size:1 mL x 10 mM in DMSO
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Description
Trans-trans-Muconic acid is a urinary metabolite of benzene.
CAS Number
3588-17-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
142.11
Molecular Formula
C6H6O4
Notes
Research use only, not for human use.
Receptor
Human Endogenous Metabolite

Chemical Information

Muconic Acid

Muconic acid is a hexadienedioic acid with unsaturation at positions 2 and 4. It has a role as a human xenobiotic metabolite. It is a dicarboxylic fatty acid and a hexadienedioic acid. It is a conjugate acid of a 5-carboxypenta-2,4-dienoate.

CAS Number3588-17-8
PubChem CID5356793
IUPAC Name(2E,4E)-hexa-2,4-dienedioic acid
Molecular FormulaC6H6O4
Molecular Weight142.11
XLogP0.2
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity168
SMILES
C(=C/C(=O)O)\C=C\C(=O)O
InChI
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+
InChIKey
TXXHDPDFNKHHGW-ZPUQHVIOSA-N
Chemical Structure
2D Structure
2D structure of Muconic Acid
CAS: 3588-17-8
CID: 5356793
Formula: C6H6O4
MW: 142.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.11
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass142.02660867
Monoisotopic Mass142.02660867
Topological Polar Surface Area74.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity168
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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