2-Benzylidene-1-tetralone

Base Information

• Chemical Name: 2-Benzylidene-1-tetralone
• CAS No.: 57558-64-2
• Molecular Formula: C₁₇H₁₄O
• Molecular Weight: 234.298
• NSC Number: 665347
• UNII: 5H84JJT89A
• DSSTox Substance ID: DTXSID801199006
• Nikkaji Number: J124.845F,J713.404E
• Wikidata: Q76305779
• ChEMBL ID: CHEMBL28689

Synonyms:2-benzylidenetetralone

Chemical Property of 2-Benzylidene-1-tetralone

Chemical Property:

• Boiling Point: 398.9°Cat760mmHg
• Flash Point: 175.8°C
• Density: 1.168g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 234.104465066
• Heavy Atom Count: 18
• Complexity: 336

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=CC2=CC=CC=C2)C(=O)C3=CC=CC=C31
• Isomeric SMILES: C1C/C(=C\C2=CC=CC=C2)/C(=O)C3=CC=CC=C31

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