2-Propenal, 3-(tetrahydro-6-oxo-2H-pyran-2-yl)-, (2E)-

Base Information

• Chemical Name: 2-Propenal, 3-(tetrahydro-6-oxo-2H-pyran-2-yl)-, (2E)-
• CAS No.: 77795-11-0
• Molecular Formula: C20H24N2O2
• Molecular Weight: 324.4168
• DSSTox Substance ID: DTXSID20998995

Synonyms:Ibogamine, 8,19-epoxy-12-methoxy-, (8beta,19S)-;77795-11-0;2-Propenal, 3-(tetrahydro-6-oxo-2H-pyran-2-yl)-, (2E)-;77803-32-8;DTXSID20998995;12-Methoxy-8,19-epoxyibogamine

Chemical Property of 2-Propenal, 3-(tetrahydro-6-oxo-2H-pyran-2-yl)-, (2E)-

Chemical Property:

• Vapor Pressure: 3.2E-11mmHg at 25°C
• Boiling Point: 527.6°Cat760mmHg
• Flash Point: 272.9°C
• Density: 1.31g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 324.183778013
• Heavy Atom Count: 24
• Complexity: 528

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCC1CC2CC3C1N4C2OC(C4)C5=C3NC6=C5C=C(C=C6)OC
• Isomeric SMILES: CC[C@H]1CC2C[C@@H]3[C@H]1N4C2O[C@@H](C4)C5=C3NC6=C5C=C(C=C6)OC

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