4-(4-Nitrophenyl)-4-oxo-2-hydroxybutanoic acid

Base Information

• Chemical Name: 4-(4-Nitrophenyl)-4-oxo-2-hydroxybutanoic acid
• CAS No.: 81008-13-1
• Molecular Formula: C10H9 N O6
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID701001701
• Mol file: 81008-13-1.mol

Synonyms:4-(4-Nitrophenyl)-4-oxo-2-hydroxybutanoic acid;81008-13-1;alpha-Hydroxy-4-nitro-gamma-oxobenzenebutanoic acid;Benzenebutanoic acid, alpha-hydroxy-4-nitro-gamma-oxo-;2-hydroxy-4-(4-nitrophenyl)-4-oxobutanoic acid;DTXSID701001701;LS-29347

Chemical Property of 4-(4-Nitrophenyl)-4-oxo-2-hydroxybutanoic acid

Chemical Property:

• Vapor Pressure: 1.12E-11mmHg at 25°C
• Boiling Point: 520.9°C at 760 mmHg
• Flash Point: 228°C
• PSA: 120.42000
• Density: 1.51g/cm³
• LogP: 1.13630
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 239.04298701
• Heavy Atom Count: 17
• Complexity: 315

Purity/Quality:

99%min ^*data from raw suppliers

4-(4-NITROPHENYL)-4-OXO-2-HYDROXYBUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CC(C(=O)O)O)[N+](=O)[O-]