4-[4-(1h-Imidazol-1-yl)phenyl]-2,4-dioxo-butanoic acid

Base Information

• Chemical Name: 4-[4-(1h-Imidazol-1-yl)phenyl]-2,4-dioxo-butanoic acid
• CAS No.: 105356-71-6
• Molecular Formula: C11H9NO2
• Molecular Weight: 187.1947
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID70377998
• Wikidata: Q82167420
• Mol file: 105356-71-6.mol

Synonyms:105356-71-6;4-[4-(1h-imidazol-1-yl)phenyl]-2,4-dioxo-butanoic acid;4-(4-imidazol-1-ylphenyl)-2,4-dioxobutanoic acid;MFCD06245357;2,4-Dioxo-4-[4-(1H-imidazol-1-yl)]phenylbutanoic acid;4-[4-(1H-Imidazol-1-yl)phenyl]-2,4-dioxobutanoic acid;4-(4-(1H-Imidazol-1-yl)phenyl)-2,4-dioxobutanoic acid;DTXSID70377998;AKOS005257488;Benzenebutanoicacid,4-(1H-imidazol-1-yl)-a,g-dioxo-;4-[4-(1H-imidazol-1-yl)phenyl]-2,4-dioxo-butanoic acid, AldrichCPR

Chemical Property of 4-[4-(1h-Imidazol-1-yl)phenyl]-2,4-dioxo-butanoic acid

Chemical Property:

• Vapor Pressure: 1.97E-11mmHg at 25°C
• Refractive Index: 1.633
• Boiling Point: 292.1 °C at 760 mmHg
• PKA: 2.02±0.54(Predicted)
• Flash Point: 136.6 °C
• PSA: 89.26000
• Density: 1.16 g/cm³
• LogP: 1.09880
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 258.06405680
• Heavy Atom Count: 19
• Complexity: 375

Purity/Quality:

99% ^*data from raw suppliers

4-[4-(1H-IMIDAZOL-1-YL)PHENYL]-2,4-DIOXO-BUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CC(=O)C(=O)O)N2C=CN=C2