2,2-Dimethylpropane-1,3-diol;1,3-dioxo-2-benzofuran-5-carboxylic acid;terephthalic acid

Base Information

• Chemical Name: 2,2-Dimethylpropane-1,3-diol;1,3-dioxo-2-benzofuran-5-carboxylic acid;terephthalic acid
• CAS No.: 37871-48-0
• Molecular Formula: C22H22O11
• Molecular Weight: 462.40348
• Mol file: 37871-48-0.mol

Synonyms:37871-48-0;(C9-H4-O5.C8-H6-O4.C5-H12-O2)x-

Chemical Property of 2,2-Dimethylpropane-1,3-diol;1,3-dioxo-2-benzofuran-5-carboxylic acid;terephthalic acid

Chemical Property:

• PSA: 195.73000
• LogP: 1.77560
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 462.11621151
• Heavy Atom Count: 33
• Complexity: 522

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CO)CO.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O