6-[(2E)-3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one

Base Information

• Chemical Name: 6-[(2E)-3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
• CAS No.: 71856-89-8
• Molecular Formula: C16H10Cl2O3
• Molecular Weight: 321.1548
• NSC Number: 282883
• DSSTox Substance ID: DTXSID90421649

Synonyms:71856-89-8;DTXSID90421649;NSC282883;NSC-282883;6-[(2E)-3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one

Chemical Property of 6-[(2E)-3-(3,4-Dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one

Chemical Property:

• Vapor Pressure: 1.21E-10mmHg at 25°C
• Boiling Point: 495.7°C at 760 mmHg
• Flash Point: 253.6°C
• Density: 1.476g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 320.0006996
• Heavy Atom Count: 21
• Complexity: 558

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=O)C(=C1)O)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl
• Isomeric SMILES: C1=CC(=CC(=O)C(=C1)O)C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl

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