Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Sonrisas canónicas | CC1=C(C=C(C=C1C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O |
|---|---|
| IUPAC Name | 4-[3,5-bis(4-carboxyphenyl)-4-methylphenyl]benzoic acid |
| InChIKey | KRISVMCBVWGHGQ-UHFFFAOYSA-N |
| INCHI | 1S/C28H20O6/c1-16-24(18-4-10-21(11-5-18)27(31)32)14-23(17-2-8-20(9-3-17)26(29)30)15-25(16)19-6-12-22(13-7-19)28(33)34/h2-15H,1H3,(H,29,30)(H,31,32)(H,33,34) |
| Isómeros SMILES | CC1=C(C=C(C=C1C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O |
| PubChem CID | 118103009 |
| Peso molecular | 452.5 |
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 →| Peso molecular | 452.500 g/mol |
|---|---|
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 452.126 Da |
| Monoisotopic Mass | 452.126 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 681.000 |
| 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 |