2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, 2-Acetoxy-2-methylpropyl Ester

Base Information

• Chemical Name: 2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, 2-Acetoxy-2-methylpropyl Ester
• CAS No.: 106685-67-0
• Molecular Formula: C17H19 N O7
• Molecular Weight: 349.34
• DSSTox Substance ID: DTXSID90700022
• Mol file: 106685-67-0.mol

Synonyms:106685-67-0;(2-acetyloxy-2-methylpropyl) 2-[(2-nitrophenyl)methylidene]-3-oxobutanoate;2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, 2-Acetoxy-2-methylpropyl Ester;2-(Acetyloxy)-2-methylpropyl 2-[(2-nitrophenyl)methylidene]-3-oxobutanoate;DTXSID90700022;AKOS030255757;FT-0672756

Chemical Property of 2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, 2-Acetoxy-2-methylpropyl Ester

Chemical Property:

• Refractive Index: 1.553
• PSA: 115.49000
• LogP: 2.97530
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 349.11615195
• Heavy Atom Count: 25
• Complexity: 574

Purity/Quality:

97% ^*data from raw suppliers

2-(2-Nitrobenzylidene)-3-oxobutanoicAcid,2-Acetoxy-2-methylpropylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)OCC(C)(C)OC(=O)C
• Uses: 2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, 2-Acetoxy-2-methylpropyl Ester is useful as vasodilators, antihypertensives, and spasmolytics Useful as vasodilators, antihypertensives, and spasmolytics.