7-(3-(3-Hydroxy-4-(4'-iodophenoxy)-1-butenyl)-7-oxabicyclo(2.2.1)heptan-2-yl)-5-heptenoic acid

Base Information

• Chemical Name: 7-(3-(3-Hydroxy-4-(4'-iodophenoxy)-1-butenyl)-7-oxabicyclo(2.2.1)heptan-2-yl)-5-heptenoic acid
• CAS No.: 124924-85-2
• Molecular Formula: C23H29 I O5
• Molecular Weight: 512.3778
• Mol file: 124924-85-2.mol

Synonyms:7-(3-(3-hydroxy-4-(4'-iodophenoxy)-1-butenyl)-7-oxabicyclo(2.2.1)heptan-2-yl)-5'-heptenoic acid;7-(3-(3-hydroxy-4-(4'-iodophenoxy)-1-butenyl)-7-oxabicyclo(2.2.1)heptan-2-yl)-5-heptenoic acid;I-BOP;IBOP cpd

Chemical Property of 7-(3-(3-Hydroxy-4-(4'-iodophenoxy)-1-butenyl)-7-oxabicyclo(2.2.1)heptan-2-yl)-5-heptenoic acid

Chemical Property:

• Boiling Point: 634.5°Cat760mmHg
• Flash Point: 337.5°C
• PSA: 75.99000
• Density: 1.483g/cm³
• LogP: 4.58190
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 510.10613
• Heavy Atom Count: 29
• Complexity: 570

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C(C(C1O2)CC=CCCCC(=O)O)C=CC(COC3=CC=C(C=C3)I)O
• Isomeric SMILES: C1C[C@@H]2[C@@H]([C@H]([C@H]1O2)C/C=C\CCCC(=O)O)/C=C/[C@H](COC3=CC=C(C=C3)[125I])O