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Cis, cis-Muconic acid

CAT: 1568-C11607-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C11607-25mgSize:25 mg
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CAS Number
1119-72-8
Synonyms
Cis, cis-Muconate; cis, cis-2,4-Hexadienedioic acid; cis, cis-2,4-Hexadienedioate
Target
Others
Applications
Others
Smiles
C (=CC (=O) O) C=CC (=O) O
Molecular Formula
C6H6O4
Additionnal Information
Cis, cis-Muconic acid (cis, cis-Muconate; cis, cis-2,4-Hexadienedioic acid; cis, cis-2,4-Hexadienedioate) is a polyunsaturated dicarboxylic acid that can be produced renewably via the biological conversion of sugars and lignin-derived aromatic compounds.
Storage Conditions
3 years -20°C powder

Chemical Information

cis,cis-Muconic acid

Cis,cis-muconic acid is the cis,cis-isomer of muconic acid. It is produced during the degradation of chlorobenzene by bacteria like Bacillus. It has a role as a bacterial xenobiotic metabolite. It is a conjugate acid of a (2Z,4Z)-5-carboxypenta-2,4-dienoate.

CAS Number1119-72-8
PubChem CID5280518
IUPAC Name(2Z,4Z)-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-CCAGOZQPSA-N
Chemical Structure
2D Structure
2D structure of cis,cis-Muconic acid
CAS: 1119-72-8
CID: 5280518
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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