4-(1,2,3,6,7,8-Hexahydropyren-4-YL)butanoic acid

Base Information

• Chemical Name: 4-(1,2,3,6,7,8-Hexahydropyren-4-YL)butanoic acid
• CAS No.: 66787-94-8
• Molecular Formula: C20H22O2
• Molecular Weight: 294.393
• DSSTox Substance ID: DTXSID60500036
• Wikidata: Q82351367

Synonyms:66787-94-8;4-(1,2,3,6,7,8-HEXAHYDROPYREN-4-YL)BUTANOIC ACID;DTXSID60500036;ZRAQDOFALXZLEE-UHFFFAOYSA-N;4-(1,2,3,6,7,8-Hexahydro-4-pyrenyl)butanoic acid

Chemical Property of 4-(1,2,3,6,7,8-Hexahydropyren-4-YL)butanoic acid

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 294.161979940
• Heavy Atom Count: 22
• Complexity: 418

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C3C(=CC(=C4C3=C(CCC4)C=C2)CCCC(=O)O)C1

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