Methyl 5-(2-nitrophenyl)-3-oxopent-4-enoate

Base Information

• Chemical Name: Methyl 5-(2-nitrophenyl)-3-oxopent-4-enoate
• CAS No.: 139445-59-3
• Molecular Formula: C12H11NO5
• DSSTox Substance ID: DTXSID30706205
• Mol file: 139445-59-3.mol

Synonyms:SCHEMBL7411297;DTXSID30706205;CJBFCOOECPQZDM-UHFFFAOYSA-N;methyl o-nitrobenzylideneacetoacetate;methyl-2-nitro-benzylidene-acetoacetate;methyl 5-(2-nitrophenyl)-3-oxopent-4-enoate;2-nitrobenzylideneacetoacetic acid methyl ester

Chemical Property of Methyl 5-(2-nitrophenyl)-3-oxopent-4-enoate

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 249.06372245
• Heavy Atom Count: 18
• Complexity: 358

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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