Biphenyl-3,3'-dicarboxylic acid 3-isopropyl ester

Base Information

• Chemical Name: Biphenyl-3,3'-dicarboxylic acid 3-isopropyl ester
• CAS No.: 728918-79-4
• Molecular Formula: C17H16O4
• Molecular Weight: 284.31
• DSSTox Substance ID: DTXSID70373475
• Wikidata: Q82161656
• Mol file: 728918-79-4.mol

Synonyms:728918-79-4;Biphenyl-3,3'-dicarboxylic acid 3-isopropyl ester;3-(3-propan-2-yloxycarbonylphenyl)benzoic Acid;3'-(Isopropoxycarbonyl)biphenyl-3-carboxylic acid;DTXSID70373475;MFCD04117393;AKOS015838558;CS-0455310;Biphenyl-3,3'-dicarboxylicacid3-isopropylester;3'-(ISOPROPOXYCARBONYL)-[1,1'-BIPHENYL]-3-CARBOXYLIC ACID

Chemical Property of Biphenyl-3,3'-dicarboxylic acid 3-isopropyl ester

Chemical Property:

• Melting Point: 126.5-127.5°C
• Boiling Point: 477.7±38.0 °C(Predicted)
• PKA: 4.08±0.10(Predicted)
• PSA: 63.60000
• Density: 1.191±0.06 g/cm3(Predicted)
• LogP: 3.61700
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 284.10485899
• Heavy Atom Count: 21
• Complexity: 377

Purity/Quality:

98%min ^*data from raw suppliers

3''-(Isopropoxycarbonyl)biphenyl-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)O
• Uses: 3''-(Isopropoxycarbonyl)biphenyl-3-carboxylic acid