4-Methylpent-4-en-2-ynoic acid

Base Information

• Chemical Name: 4-Methylpent-4-en-2-ynoic acid
• CAS No.: 5963-81-5
• Molecular Formula: C6H6O2
• DSSTox Substance ID: DTXSID70510303
• Nikkaji Number: J1.577.982I
• Wikidata: Q82368494

Synonyms:5963-81-5;4-Methylpent-4-en-2-ynoic acid;isopropenylpropiolic acid;SCHEMBL16458799;DTXSID70510303;AKOS006378256

Chemical Property of 4-Methylpent-4-en-2-ynoic acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 110.036779430
• Heavy Atom Count: 8
• Complexity: 177

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C#CC(=O)O

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