Methyl 2-(3,4-dimethoxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate

Base Information

• Chemical Name: Methyl 2-(3,4-dimethoxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
• CAS No.: 216884-02-5
• Molecular Formula: C20H21NO5
• Molecular Weight: 355.3844
• DSSTox Substance ID: DTXSID80944291
• Mol file: 216884-02-5.mol

Synonyms:DTXSID80944291;Methyl 2-(3,4-dimethoxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate

Chemical Property of Methyl 2-(3,4-dimethoxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 533.943°C at 760 mmHg
• PKA: -1.57±0.20(Predicted)
• Flash Point: 276.719°C
• PSA: 65.07000
• Density: 1.227g/cm³
• LogP: 2.90190
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 355.14197277
• Heavy Atom Count: 26
• Complexity: 510

Purity/Quality:

>98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(CN2CC3=CC=CC=C3C2=O)C(=O)OC)OC

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