Hex-3-ynedioic acid

Base Information

• Chemical Name: Hex-3-ynedioic acid
• CAS No.: 5963-39-3
• Molecular Formula: C6H6O4
• Molecular Weight: 142.111
• DSSTox Substance ID: DTXSID60544132
• Wikidata: Q82421139
• Mol file: 5963-39-3.mol

Synonyms:HEX-3-YNEDIOIC ACID;5963-39-3;SCHEMBL50602;DTXSID60544132;AKOS006380542

Chemical Property of Hex-3-ynedioic acid

Chemical Property:

• Melting Point: 174-175 °C(Solv: water (7732-18-5))
• Boiling Point: 405.7±30.0 °C(Predicted)
• PSA: 74.60000
• Density: 1.419±0.06 g/cm3(Predicted)
• LogP: -0.06080
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 142.02660867
• Heavy Atom Count: 10
• Complexity: 184

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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