4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]cyclopent-4-ene-1,3-dione

Base Information

• Chemical Name: 4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]cyclopent-4-ene-1,3-dione
• CAS No.: 1782-79-2
• Molecular Formula: C16H14O5
• Molecular Weight: 286.27900
• Hs Code.: 2914190090
• DSSTox Substance ID: DTXSID901336388
• Nikkaji Number: J3.325.231E
• Wikidata: Q103796597
• Mol file: 1782-79-2.mol

Synonyms:SCHEMBL6845888;SCHEMBL6864868;DTXSID901336388;HY-N3379;AKOS040760522;CS-0024051;4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]cyclopent-4-ene-1,3-dione;4-Cyclopentene-1,3-dione, 4,5-dimethoxy-2-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-

Chemical Property of 4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]cyclopent-4-ene-1,3-dione

Chemical Property:

• Melting Point: 92-93 °C
• Boiling Point: 519.0±50.0 °C(Predicted)
• PKA: 2.22±0.60(Predicted)
• PSA: 72.83000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 2.16810
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 286.08412354
• Heavy Atom Count: 21
• Complexity: 483

Purity/Quality:

98%min ^*data from raw suppliers

Linderone >98%,StandardReferencesGrade ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=O)C(C1=O)C(=O)C=CC2=CC=CC=C2)OC
• Isomeric SMILES: COC1=C(C(=O)C(C1=O)C(=O)/C=C/C2=CC=CC=C2)OC