≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488202616 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202616 |
| Canonical Smiles | C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=C(C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)C(=O)O)C7=CC=C(C=C7)C8=CC=C(C=C8)C(=O)O |
| IUPAC Name | 4-[4-[1,2,2-tris[4-(4-carboxyphenyl)phenyl]ethenyl]phenyl]benzoic acid |
| InChIKey | IIIWRSPHUBZZOB-UHFFFAOYSA-N |
| INCHI | 1S/C54H36O8/c55-51(56)45-25-9-37(10-26-45)33-1-17-41(18-2-33)49(42-19-3-34(4-20-42)38-11-27-46(28-12-38)52(57)58)50(43-21-5-35(6-22-43)39-13-29-47(30-14-39)53(59)60)44-23-7-36(8-24-44)40-15-31-48(32-16-40)54(61)62/h1-32H,(H,55,56)(H,57,58)(H,59,60)(H,61,62) |
| Isomeric SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=C(C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)C(=O)O)C7=CC=C(C=C7)C8=CC=C(C=C8)C(=O)O |
| Molecular Weight | 812.86 |
| Reaxy-Rn | 27004527 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27004527&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2615388 | Certificate of Analysis | Jun 06, 2026 | E305081 |
| F2615492 | Certificate of Analysis | Jun 06, 2026 | E305081 |
| F2615494 | Certificate of Analysis | Jun 06, 2026 | E305081 |
| B2320006 | Certificate of Analysis | Dec 09, 2025 | E305081 |
| B2320015 | Certificate of Analysis | Dec 09, 2025 | E305081 |
| B2320284 | Certificate of Analysis | Dec 09, 2025 | E305081 |
| B2320310 | Certificate of Analysis | Dec 09, 2025 | E305081 |
| J2109289 | Certificate of Analysis | Aug 08, 2024 | E305081 |
| B2320022 | Certificate of Analysis | Jul 20, 2022 | E305081 |
| B2320034 | Certificate of Analysis | Jul 20, 2022 | E305081 |
| J2323054 | Certificate of Analysis | Jul 20, 2022 | E305081 |
| K2407232 | Certificate of Analysis | Jul 20, 2022 | E305081 |
| Molecular Weight | 812.900 g/mol |
|---|---|
| XLogP3 | 12.600 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 12 |
| Exact Mass | 812.241 Da |
| Monoisotopic Mass | 812.241 Da |
| Topological Polar Surface Area | 149.000 Ų |
| Heavy Atom Count | 62 |
| Formal Charge | 0 |
| Complexity | 1290.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
