2-Heptynoic acid, 7-hydroxy-, methyl ester

Base Information

• Chemical Name: 2-Heptynoic acid, 7-hydroxy-, methyl ester
• CAS No.: 52500-26-2
• Molecular Formula: C8H12O3
• Molecular Weight: 156.181
• DSSTox Substance ID: DTXSID30452038
• Nikkaji Number: J416.807K
• Wikidata: Q82272390
• Mol file: 52500-26-2.mol

Synonyms:2-Heptynoic acid, 7-hydroxy-, methyl ester;52500-26-2;SCHEMBL18180487;IUBLQVUXPVTFMN-UHFFFAOYSA-;DTXSID30452038;7-Hydroxy-2-heptynoic acid methyl ester;InChI=1/C8H12O3/c1-11-8(10)6-4-2-3-5-7-9/h9H,2-3,5,7H2,1H3

Chemical Property of 2-Heptynoic acid, 7-hydroxy-, methyl ester

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 156.078644241
• Heavy Atom Count: 11
• Complexity: 172

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C#CCCCCO

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