2-Hydroxy-3-[(2E)-3-phenylprop-2-enoyl]cyclohepta-2,4,6-trien-1-one

Base Information

• Chemical Name: 2-Hydroxy-3-[(2E)-3-phenylprop-2-enoyl]cyclohepta-2,4,6-trien-1-one
• CAS No.: 77632-97-4
• Molecular Formula: C16H12 O3
• Molecular Weight: 252.2647
• NSC Number: 356770
• DSSTox Substance ID: DTXSID20422285
• Nikkaji Number: J1.160.479J,J339.757B

Synonyms:77632-97-4;3-Cinnamoyltropolone;NSC356770;DTXSID20422285;NSC-356770;2-Hydroxy-3-(3-phenylpropenoyl)cyclohepta-2,4,6-triene-1-one;2-hydroxy-3-[(E)-3-phenyl-acryloyl]-cyclohepta-2,4,6-trien-1-one;2-Hydroxy-3-[(2E)-3-phenylprop-2-enoyl]cyclohepta-2,4,6-trien-1-one

Chemical Property of 2-Hydroxy-3-[(2E)-3-phenylprop-2-enoyl]cyclohepta-2,4,6-trien-1-one

Chemical Property:

• Vapor Pressure: 3.84E-08mmHg at 25°C
• Boiling Point: 429.5°Cat760mmHg
• Flash Point: 227.7°C
• Density: 1.302g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 252.078644241
• Heavy Atom Count: 19
• Complexity: 486

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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