3-Chloro-2,4-hexadienedioic acid

Base Information

• Chemical Name: 3-Chloro-2,4-hexadienedioic acid
• CAS No.: 20665-95-6
• Molecular Formula: C6H5ClO4
• Molecular Weight: 176.5545
• Nikkaji Number: J1.348.209H,J59.799F,J316.365B
• Wikidata: Q27117846
• Metabolomics Workbench ID: 75585

Synonyms:3-chloromuconic acid;3-Chloro-2,4-hexadienedioic acid;3-chlorohexa-2,4-dienedioic acid;20665-95-6;(2Z,4E)-3-chlorohexa-2,4-dienedioic acid;3-chloro-trans,trans-muconic acid;2,4-Hexadienedioic acid, 3-chloro-;C6H5CLO4;(2E,4Z)-3-Chloro-2,4-hexadienedioic acid;CHEBI:38428;CHEBI:38433;LMFA01030976;(2Z,4Z)-3-Chloro-2,4-hexadiene-1,6-dioic acid;Q27117846

Chemical Property of 3-Chloro-2,4-hexadienedioic acid

Chemical Property:

• Vapor Pressure: 8.03E-05mmHg at 25°C
• Boiling Point: 317.7°C at 760 mmHg
• Flash Point: 145.9°C
• PSA: 74.60000
• Density: 1.531g/cm³
• LogP: 0.83450
• XLogP3: 0.6
• 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:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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