Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, butyl ester

Base Information

• Chemical Name: Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, butyl ester
• CAS No.: 125629-05-2
• Molecular Formula: C12H13 N O7
• Molecular Weight: 283.2341
• DSSTox Substance ID: DTXSID80154818
• Wikidata: Q83022166
• Mol file: 125629-05-2.mol

Synonyms:125629-05-2;Butyl 3,4-dihydroxy-5-nitro-alpha-oxobenzeneacetate;Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, butyl ester;SCHEMBL7374577;DTXSID80154818;C12-H13-N-O7;LS-28752

Chemical Property of Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, butyl ester

Chemical Property:

• Vapor Pressure: 9.98E-09mmHg at 25°C
• Boiling Point: 450.3°C at 760 mmHg
• Flash Point: 226.2°C
• Density: 1.422g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 283.06920175
• Heavy Atom Count: 20
• Complexity: 379

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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