4-(3-(4-Carboxy-2-hydroxy-1-phenyl-1H-pyrrol-3-yl)allylidene)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid

Base Information

• Chemical Name: 4-(3-(4-Carboxy-2-hydroxy-1-phenyl-1H-pyrrol-3-yl)allylidene)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid
• CAS No.: 29212-95-1
• Molecular Formula: C23H16 N4 O6
• Molecular Weight: 443.40828
• European Community (EC) Number: 249-512-8
• Mol file: 29212-95-1.mol

Synonyms:EINECS 249-512-8;4-(3-(4-Carboxy-2-hydroxy-1-phenyl-1H-pyrrol-3-yl)allylidene)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid;C23H16N4O6;29212-95-1;4-[3-(4-CARBOXY-2-HYDROXY-1-PHENYL-1H-PYRROL-3-YL)ALLYLIDENE]-4,5-DIHYDRO-5-OXO-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID;SCHEMBL1306137

Chemical Property of 4-(3-(4-Carboxy-2-hydroxy-1-phenyl-1H-pyrrol-3-yl)allylidene)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.82E-13mmHg at 25°C
• Boiling Point: 557.7°C at 760 mmHg
• PKA: -4.35±0.20(Predicted)
• Flash Point: 291.1°C
• Density: 1.46g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 444.10698424
• Heavy Atom Count: 33
• Complexity: 983

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=O)C(=C(N2)C(=O)O)C=CC=C3C(=NN(C3=O)C4=CC=CC=C4)C(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)N2C(=O)C(=C(N2)C(=O)O)/C=C/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)C(=O)O