2-Butynoic acid, 4-[(methoxycarbonyl)oxy]-, methyl ester

Base Information

• Chemical Name: 2-Butynoic acid, 4-[(methoxycarbonyl)oxy]-, methyl ester
• CAS No.: 174000-98-7
• Molecular Formula: C7H8O5
• Molecular Weight: 172.13500
• DSSTox Substance ID: DTXSID80462586
• Nikkaji Number: J1.989.674I
• Wikidata: Q82287141

Synonyms:2-Butynoic acid, 4-[(methoxycarbonyl)oxy]-, methyl ester;174000-98-7;DTXSID80462586

Chemical Property of 2-Butynoic acid, 4-[(methoxycarbonyl)oxy]-, methyl ester

Chemical Property:

• PSA: 61.83000
• LogP: -0.05420
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 172.03717335
• Heavy Atom Count: 12
• Complexity: 231

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C#CCOC(=O)OC

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