2-[(1,3-Dihydro-1,3-dioxo-2H-isoindole-2-yl)methyl]propenenitrile

Base Information

• Chemical Name: 2-[(1,3-Dihydro-1,3-dioxo-2H-isoindole-2-yl)methyl]propenenitrile
• CAS No.: 117903-81-8
• Molecular Formula: C₁₂H₈N₂O₂
• Molecular Weight: 212.208
• DSSTox Substance ID: DTXSID401175355
• Nikkaji Number: J1.619.036E

Synonyms:117903-81-8;DTXSID401175355;2-[(1,3-Dihydro-1,3-dioxo-2H-isoindole-2-yl)methyl]propenenitrile;1,3-Dihydro-alpha-methylene-1,3-dioxo-2H-isoindole-2-propanenitrile

Chemical Property of 2-[(1,3-Dihydro-1,3-dioxo-2H-isoindole-2-yl)methyl]propenenitrile

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 212.058577502
• Heavy Atom Count: 16
• Complexity: 381

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(CN1C(=O)C2=CC=CC=C2C1=O)C#N

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