2-Hydroxy-3-[3-(3,4-dimethoxyphenyl)propenoyl]cyclohepta-2,4,6-triene-1-one

Base Information

• Chemical Name: 2-Hydroxy-3-[3-(3,4-dimethoxyphenyl)propenoyl]cyclohepta-2,4,6-triene-1-one
• CAS No.: 77633-03-5
• Molecular Formula: C18H16 O5
• Molecular Weight: 312.3166
• NSC Number: 356775
• DSSTox Substance ID: DTXSID80421133
• Nikkaji Number: J1.160.468D

Synonyms:NSC356775;77633-03-5;DTXSID80421133;NSC-356775;2-Hydroxy-3-[3-(3,4-dimethoxyphenyl)propenoyl]cyclohepta-2,4,6-triene-1-one

Chemical Property of 2-Hydroxy-3-[3-(3,4-dimethoxyphenyl)propenoyl]cyclohepta-2,4,6-triene-1-one

Chemical Property:

• Vapor Pressure: 1.1E-10mmHg at 25°C
• Boiling Point: 496.7°Cat760mmHg
• Flash Point: 180.5°C
• Density: 1.292g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 312.09977361
• Heavy Atom Count: 23
• Complexity: 582

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=CC(=O)C2=C(C(=O)C=CC=C2)O)OC
• Isomeric SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C(=O)C=CC=C2)O)OC

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