1,2-Benzenedicarboxylic acid, 1,1'-[2,2-bis[[(2-carboxybenzoyl)oxy]methyl]-1,3-propanediyl] ester

Base Information

• Chemical Name: 1,2-Benzenedicarboxylic acid, 1,1'-[2,2-bis[[(2-carboxybenzoyl)oxy]methyl]-1,3-propanediyl] ester
• CAS No.: 7338-30-9
• Molecular Formula: C37H28O16
• DSSTox Substance ID: DTXSID901115942
• Mol file: 7338-30-9.mol

Synonyms:DTXSID901115942;1,2-Benzenedicarboxylic acid, 1,1'-[2,2-bis[[(2-carboxybenzoyl)oxy]methyl]-1,3-propanediyl] ester;7338-30-9

Chemical Property of 1,2-Benzenedicarboxylic acid, 1,1'-[2,2-bis[[(2-carboxybenzoyl)oxy]methyl]-1,3-propanediyl] ester

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 20
• Exact Mass: 728.13773480
• Heavy Atom Count: 53
• Complexity: 1170

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)C(=O)OCC(COC(=O)C2=CC=CC=C2C(=O)O)(COC(=O)C3=CC=CC=C3C(=O)O)COC(=O)C4=CC=CC=C4C(=O)O