4-methyl-2-[(E)-1-phenylhept-1-en-2-yl]-1,3-dioxane

Base Information

• Chemical Name: 4-methyl-2-[(E)-1-phenylhept-1-en-2-yl]-1,3-dioxane
• CAS No.: 5436-76-0
• Molecular Formula: C18H26 O2
• Molecular Weight: 274.4
• NSC Number: 21771
• Mol file: 5436-76-0.mol

Synonyms:NSC21771;5436-76-0;NSC-21771

Chemical Property of 4-methyl-2-[(E)-1-phenylhept-1-en-2-yl]-1,3-dioxane

Chemical Property:

• Vapor Pressure: 2.29E-05mmHg at 25°C
• Boiling Point: 370.8°Cat760mmHg
• Flash Point: 195.8°C
• PSA: 18.46000
• Density: 0.989g/cm³
• LogP: 4.80180
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 274.193280068
• Heavy Atom Count: 20
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=CC1=CC=CC=C1)C2OCCC(O2)C
• Isomeric SMILES: CCCCC/C(=C\C1=CC=CC=C1)/C2OCCC(O2)C

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