1-Pyrenebutanoic acid, methyl ester

Base Information

• Chemical Name: 1-Pyrenebutanoic acid, methyl ester
• CAS No.: 70570-29-5
• Molecular Formula: C21H18O2
• Molecular Weight: 302.373
• DSSTox Substance ID: DTXSID90478133
• Nikkaji Number: J1.487.079B
• Wikidata: Q82311333

Synonyms:1-Pyrenebutanoic acid, methyl ester;70570-29-5;methyl 4-(1-pyrenyl)butyrate;SCHEMBL6282093;DTXSID90478133

Chemical Property of 1-Pyrenebutanoic acid, methyl ester

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 302.130679813
• Heavy Atom Count: 23
• Complexity: 432

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: COC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

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