(E)-but-2-enedioic acid;1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;propane-1,2-diol

Base Information

• Chemical Name: (E)-but-2-enedioic acid;1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;propane-1,2-diol
• CAS No.: 59789-49-0
• Molecular Formula: C16H14Cl6O9
• Molecular Weight: 562.99496
• Mol file: 59789-49-0.mol

Synonyms:59789-49-0;(C9-H2-Cl6-O3.C4-H4-O4.C3-H8-O2)x-

Chemical Property of (E)-but-2-enedioic acid;1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;propane-1,2-diol

Chemical Property:

• PSA: 158.43000
• LogP: 2.21900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 561.873948
• Heavy Atom Count: 31
• Complexity: 638

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)O.C(=CC(=O)O)C(=O)O.C12C(C(=O)OC1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
• Isomeric SMILES: CC(CO)O.C(=C/C(=O)O)\C(=O)O.C12C(C(=O)OC1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl