2-Chloromuconic acid

Base Information

• Chemical Name: 2-Chloromuconic acid
• CAS No.: 52050-02-9
• Molecular Formula: C6H5ClO4
• Molecular Weight: 176.5545
• DSSTox Substance ID: DTXSID701034710
• Nikkaji Number: J592.693I,J654.274C,J881.714F
• Wikidata: Q27117847
• Metabolomics Workbench ID: 75587
• Mol file: 52050-02-9.mol

Synonyms:2-chloro-cis,cis-muconate;2-chloro-cis,cis-muconic acid;2-chloromuconate;2-chloromuconic acid;2-chloromuconic acid, (E,Z)-isomer;2-chloromuconic acid, (Z,Z)-isomer

Chemical Property of 2-Chloromuconic acid

Chemical Property:

• Vapor Pressure: 3.53E-05mmHg at 25°C
• Boiling Point: 329.3°Cat760mmHg
• Flash Point: 153°C
• Density: 1.531g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 175.9876363
• Heavy Atom Count: 11
• Complexity: 229

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C(=CC(=O)O)C=C(C(=O)O)Cl
• Isomeric SMILES: C(=C/C(=O)O)\C=C(\C(=O)O)/Cl

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