[(2Z,4E)-hexa-2,4-dienyl] 2-ethoxybenzoate

Base Information

• Chemical Name: [(2Z,4E)-hexa-2,4-dienyl] 2-ethoxybenzoate
• CAS No.: 16558-19-3
• Molecular Formula: C15H18 O3
• Molecular Weight: 246.3016
• NSC Number: 195149
• DSSTox Substance ID: DTXSID30419444
• Wikidata: Q82230444
• Mol file: 16558-19-3.mol

Synonyms:NSC195149;16558-19-3;DTXSID30419444;NSC-195149

Chemical Property of [(2Z,4E)-hexa-2,4-dienyl] 2-ethoxybenzoate

Chemical Property:

• Vapor Pressure: 1.42E-05mmHg at 25°C
• Boiling Point: 366.8°C at 760 mmHg
• Flash Point: 153.5°C
• Density: 1.036g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 246.125594432
• Heavy Atom Count: 18
• Complexity: 294

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1C(=O)OCC=CC=CC
• Isomeric SMILES: CCOC1=CC=CC=C1C(=O)OC/C=C\C=C\C

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