Hex-2-ynedioic acid

Base Information

• Chemical Name: Hex-2-ynedioic acid
• CAS No.: 3402-59-3
• Molecular Formula: C6H6O4
• Molecular Weight: 142.111
• DSSTox Substance ID: DTXSID50590906
• Wikidata: Q82484522

Synonyms:HEX-2-YNEDIOIC ACID;3402-59-3;SCHEMBL2396;DTXSID50590906;AKOS006381321

Chemical Property of Hex-2-ynedioic acid

Chemical Property:

• Melting Point: 139-140 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
• Boiling Point: 399.7±25.0 °C(Predicted)
• PSA: 74.60000
• Density: 1.419±0.06 g/cm3(Predicted)
• LogP: -0.06080
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 142.02660867
• Heavy Atom Count: 10
• Complexity: 204

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C(CC(=O)O)C#CC(=O)O

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