6-[(3E)-2-(1,3-benzodioxol-5-yl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]hexanoic acid

Base Information

• Chemical Name: 6-[(3E)-2-(1,3-benzodioxol-5-yl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]hexanoic acid
• CAS No.: 6040-65-9
• Molecular Formula: C24H22N2O9
• Molecular Weight: 482.4395
• DSSTox Substance ID: DTXSID70417368

Synonyms:6040-65-9;AC1NT6TU;CBMicro_049708;DTXSID70417368;AKOS022002513;BIM-0049869.P001;6-[2-Benzo[1,3]dioxol-5-yl-4-hydroxy-3-(4-nitro-benzoyl)-5-oxo-2,5-dihydro-pyrro

Chemical Property of 6-[(3E)-2-(1,3-benzodioxol-5-yl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]hexanoic acid

Chemical Property:

• Vapor Pressure: 1.78E-20mmHg at 25°C
• Boiling Point: 698.4°Cat760mmHg
• Flash Point: 376.2°C
• Density: 1.476g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 482.13253028
• Heavy Atom Count: 35
• Complexity: 875

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C3C(=C(C4=CC=C(C=C4)[N+](=O)[O-])O)C(=O)C(=O)N3CCCCCC(=O)O
• Isomeric SMILES: C1OC2=C(O1)C=C(C=C2)C3/C(=C(/C4=CC=C(C=C4)[N+](=O)[O-])\O)/C(=O)C(=O)N3CCCCCC(=O)O

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