3-[(4Z)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Base Information

• Chemical Name: 3-[(4Z)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
• CAS No.: 6041-90-3
• Molecular Formula: C20H17N3O7
• Molecular Weight: 411.3649
• DSSTox Substance ID: DTXSID60417372

Synonyms:6041-90-3;3-[(4Z)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid;AC1NT6UL;DTXSID60417372;BIM-0043732.P001;SR-01000225763;SR-01000225763-1

Chemical Property of 3-[(4Z)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Chemical Property:

• Vapor Pressure: 1.36E-18mmHg at 25°C
• Boiling Point: 665.1°Cat760mmHg
• Flash Point: 356°C
• Density: 1.4g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 411.10664989
• Heavy Atom Count: 30
• Complexity: 760

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1=CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C3=CC=CC(=C3)C(=O)O
• Isomeric SMILES: CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C3=CC=CC(=C3)C(=O)O

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