2-Propynoic acid, 3-(2-thienyl)-, ethyl ester

Base Information

• Chemical Name: 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester
• CAS No.: 61354-73-2
• Molecular Formula: C9H8O2S
• Molecular Weight: 180.227
• DSSTox Substance ID: DTXSID10434099
• Nikkaji Number: J1.666.135J

Synonyms:61354-73-2;ethyl 3-(thiophen-2-yl)propiolate;2-Propynoic acid, 3-(2-thienyl)-, ethyl ester;Thiophen-2-yl-propynoic acid ethyl ester;SCHEMBL6828349;DTXSID10434099;MFCD22686999;2-Thiophenepropiolic acid ethyl ester;AKOS026732718;ethyl 3-(thiophen-2-yl)prop-2-ynoate;F8885-5843

Chemical Property of 2-Propynoic acid, 3-(2-thienyl)-, ethyl ester

Chemical Property:

• PSA: 54.54000
• LogP: 1.66270
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.02450067
• Heavy Atom Count: 12
• Complexity: 223

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C#CC1=CC=CS1

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