Ethyl 8-nitro-4-oxo-4H-benzopyran-2-carboxylate

Base Information

• Chemical Name: Ethyl 8-nitro-4-oxo-4H-benzopyran-2-carboxylate
• CAS No.: 110683-75-5
• Molecular Formula: C₁₂H₉NO₆
• Molecular Weight: 263.207
• DSSTox Substance ID: DTXSID50435404
• Mol file: 110683-75-5.mol

Synonyms:110683-75-5;Ethyl 8-nitro-4-oxo-4H-benzopyran-2-carboxylate;Ethyl 8-nitro-4-oxo-4H-chromene-2-carboxylate;8-NITRO-4-OXO-4H-1-BENZOPYRAN-2-CARBOXYLIC ACID ETHYL ESTER;ETHYL 8-NITRO-4-OXOCHROMENE-2-CARBOXYLATE;8-nitro-2-ethoxycarbonyl-4-oxo-4H-1-benzopyran;SCHEMBL4249992;DTXSID50435404;GECOLABOBGRIGY-UHFFFAOYSA-N;WS-00903;D86421

Chemical Property of Ethyl 8-nitro-4-oxo-4H-benzopyran-2-carboxylate

Chemical Property:

• PSA: 102.33000
• LogP: 2.40110
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 263.04298701
• Heavy Atom Count: 19
• Complexity: 438

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=O)C2=C(O1)C(=CC=C2)[N+](=O)[O-]