{[5-(5-Oxocyclopent-1-EN-1-YL)pentyl]sulfanyl}acetic acid

Base Information

• Chemical Name: {[5-(5-Oxocyclopent-1-EN-1-YL)pentyl]sulfanyl}acetic acid
• CAS No.: 62408-06-4
• Molecular Formula: C12H18O3S
• DSSTox Substance ID: DTXSID90605760
• Wikidata: Q82504133

Synonyms:62408-06-4;SCHEMBL11455350;DTXSID90605760;BAUOIEQACVHLBB-UHFFFAOYSA-N;{[5-(5-OXOCYCLOPENT-1-EN-1-YL)PENTYL]SULFANYL}ACETIC ACID;2-(7-carboxy-6-thiaheptyl)-2-cyclopentenone

Chemical Property of {[5-(5-Oxocyclopent-1-EN-1-YL)pentyl]sulfanyl}acetic acid

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 242.09766561
• Heavy Atom Count: 16
• Complexity: 284

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C(=C1)CCCCCSCC(=O)O

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