1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-

Base Information

• Chemical Name: 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-
• CAS No.: 125628-93-5
• Molecular Formula: C11H13 N O5
• Molecular Weight: 239.2246
• DSSTox Substance ID: DTXSID30154808
• Wikidata: Q83022152
• Mol file: 125628-93-5.mol

Synonyms:1-(3,4-Dihydroxy-5-nitrophenyl)-1-pentanone;1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-;125628-93-5;DTXSID30154808;LS-101944

Chemical Property of 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-

Chemical Property:

• Vapor Pressure: 2.85E-06mmHg at 25°C
• Boiling Point: 378.6°Cat760mmHg
• Flash Point: 160.7°C
• Density: 1.335g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 239.07937252
• Heavy Atom Count: 17
• Complexity: 288

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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