Hexa-2,4-diynedioic acid

Base Information

• Chemical Name: Hexa-2,4-diynedioic acid
• CAS No.: 1072-17-9
• Molecular Formula: C6H2 O4
• Molecular Weight: 138.079
• DSSTox Substance ID: DTXSID80579062
• Nikkaji Number: J1.047.035H
• Wikidata: Q82469467
• Mol file: 1072-17-9.mol

Synonyms:Hexa-2,4-diynedioic acid;1072-17-9;Diacetylendicarbonsaure;HOOC-C=C-C=C-COOH;SCHEMBL417893;DTXSID80579062;USZXDNVMPDEEBP-UHFFFAOYSA-N;AKOS006377030

Chemical Property of Hexa-2,4-diynedioic acid

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 137.99530854
• Heavy Atom Count: 10
• Complexity: 255

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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