Octanoic acid, 8-[[(4-methylphenyl)sulfonyl]oxy]-, methyl ester

Base Information

• Chemical Name: Octanoic acid, 8-[[(4-methylphenyl)sulfonyl]oxy]-, methyl ester
• CAS No.: 89790-30-7
• Molecular Formula: C₁₆H₂₄O₅S
• Molecular Weight: 328.43
• DSSTox Substance ID: DTXSID20336858
• Wikidata: Q82104305

Synonyms:Octanoic acid, 8-[[(4-methylphenyl)sulfonyl]oxy]-, methyl ester;89790-30-7;DTXSID20336858;Methyl 8-([(4-methylphenyl)sulfonyl]oxy)octanoate #

Chemical Property of Octanoic acid, 8-[[(4-methylphenyl)sulfonyl]oxy]-, methyl ester

Chemical Property:

• PSA: 78.05000
• LogP: 4.29470
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 328.13444504
• Heavy Atom Count: 22
• Complexity: 405

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCC(=O)OC

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