Methyl 3-(1,3-benzodioxol-5-yl)-2-nitroprop-2-enoate

Base Information

• Chemical Name: Methyl 3-(1,3-benzodioxol-5-yl)-2-nitroprop-2-enoate
• CAS No.: 49571-79-1
• Molecular Formula: C11H9NO6
• DSSTox Substance ID: DTXSID80385685
• Mol file: 49571-79-1.mol

Synonyms:AC1MDRED;49571-79-1;DTXSID80385685

Chemical Property of Methyl 3-(1,3-benzodioxol-5-yl)-2-nitroprop-2-enoate

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 251.04298701
• Heavy Atom Count: 18
• Complexity: 374

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=CC1=CC2=C(C=C1)OCO2)[N+](=O)[O-]

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