Acetic acid, (4-((4-hydroxy-3-(1-methylethyl)-5-((4-nitrophenyl)ethynyl)phenyl)methyl)-3,5-dimethylphenoxy)-

Base Information

• Chemical Name: Acetic acid, (4-((4-hydroxy-3-(1-methylethyl)-5-((4-nitrophenyl)ethynyl)phenyl)methyl)-3,5-dimethylphenoxy)-
• CAS No.: 447415-26-1
• Molecular Formula: C28H27NO6
• UNII: 54KY638G8W
• DSSTox Substance ID: DTXSID001033230
• Nikkaji Number: J1.821.294C
• Wikidata: Q27087918
• Pharos Ligand ID: 9UMB9BL7J4ZC
• ChEMBL ID: CHEMBL109279
• Mol file: 447415-26-1.mol

Synonyms:2-(4-(4-hydroxy-3-isopropyl-5-((4-nitrophenyl)ethynyl)benzyl)-3,5-dimethylphenoxy)acetic acid

Chemical Property of Acetic acid, (4-((4-hydroxy-3-(1-methylethyl)-5-((4-nitrophenyl)ethynyl)phenyl)methyl)-3,5-dimethylphenoxy)-

Chemical Property:

• XLogP3: 6.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 473.18383758
• Heavy Atom Count: 35
• Complexity: 774

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1CC2=CC(=C(C(=C2)C(C)C)O)C#CC3=CC=C(C=C3)[N+](=O)[O-])C)OCC(=O)O