trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide

Base Information

• Chemical Name: trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide
• CAS No.: 22752-93-8
• Molecular Formula: C6H3 Cl O4
• Molecular Weight: 174.5386
• DSSTox Substance ID: DTXSID90415068
• Metabolomics Workbench ID: 50637
• Nikkaji Number: J2.368.888C
• Wikidata: Q27102069
• Mol file: 22752-93-8.mol

Synonyms:trans-2-Chlorodienelactone;trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide;22752-93-8;(2Z)-2-(4-chloro-5-oxofuran-2-ylidene)acetic acid;(2Z)-(4-chloro-5-oxofuran-2(5H)-ylidene)acetic acid;CHEBI:16773;DTXSID90415068;2-chloro-4-carboxy-methylenebut-2-enolide;C04729;Q27102069

Chemical Property of trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide

Chemical Property:

• Vapor Pressure: 0.00043mmHg at 25°C
• Boiling Point: 293.2°C at 760 mmHg
• Flash Point: 131.1°C
• PSA: 63.60000
• Density: 1.65g/cm³
• LogP: 0.63440
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 173.9719863
• Heavy Atom Count: 11
• Complexity: 276

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)OC1=CC(=O)O)Cl
• Isomeric SMILES: C\1=C(C(=O)O/C1=C\C(=O)O)Cl

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