4-Hydroxy-4-methyl-pent-2-ynoic acid ethyl ester

Base Information

• Chemical Name: 4-Hydroxy-4-methyl-pent-2-ynoic acid ethyl ester
• CAS No.: 72601-11-7
• Molecular Formula: C8H12O3
• Molecular Weight: 156.181
• DSSTox Substance ID: DTXSID20459359
• Nikkaji Number: J2.363.112A
• Wikidata: Q82283112

Synonyms:4-hydroxy-4-methyl-pent-2-ynoic acid ethyl ester;72601-11-7;ethyl 4-hydroxy-4-methylpent-2-ynoate;ethyl 4-hydroxy-4-methyl-2-pentynoate;SCHEMBL1778910;DTXSID20459359;PZMYUPRWUMOPNX-UHFFFAOYSA-N;FT-0768030;EN300-6798848;4-Hydroxy-4-methyl-2-pentyneoic acid ethyl ester

Chemical Property of 4-Hydroxy-4-methyl-pent-2-ynoic acid ethyl ester

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 156.078644241
• Heavy Atom Count: 11
• Complexity: 204

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MSDS Files:

Useful:

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

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