Ethyl 2-carboethoxy-2-methyl-4-heptynoate

Base Information

• Chemical Name: Ethyl 2-carboethoxy-2-methyl-4-heptynoate
• CAS No.: 83067-48-5
• Molecular Formula: C13H20O4
• Molecular Weight: 240.299
• Nikkaji Number: J1.938.485C

Synonyms:SCHEMBL9623535;CLMWCMRWQZLAFL-UHFFFAOYSA-N;ethyl 2-carboethoxy-2-methyl-4-heptynoate;DB-164479;2-Methyl-2-(2-pentyn-1-yl)propanedioic acid 1,3-diethyl ester

Chemical Property of Ethyl 2-carboethoxy-2-methyl-4-heptynoate

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 240.13615911
• Heavy Atom Count: 17
• Complexity: 314

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

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

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