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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.
| Sorrisi canonici | C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)OP(=O)(O)O)C4=CC=C(C=C4)OP(=O)(O)O |
|---|---|
| IUPAC Name | [4-[3-oxo-1-(4-phosphonooxyphenyl)-2-benzofuran-1-yl]phenyl] dihydrogen phosphate |
| InChIKey | WMDDNKROYKCDJC-UHFFFAOYSA-N |
| INCHI | 1S/C20H16O10P2/c21-19-17-3-1-2-4-18(17)20(28-19,13-5-9-15(10-6-13)29-31(22,23)24)14-7-11-16(12-8-14)30-32(25,26)27/h1-12H,(H2,22,23,24)(H2,25,26,27) |
| Isomeri SMILES | C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)OP(=O)(O)O)C4=CC=C(C=C4)OP(=O)(O)O |
| CAS alternativo | 2090-82-6,69815-55-0 (tetra-potassium salt) |
| PubChem CID | 74975 |
| Termini MeSH | phenolphthalein diphosphate;phenolphthalein diphosphate, tetrapotassium salt;phenolphthalein diphosphate, tetrasodium salt |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Peso molecolare | 478.300 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 478.022 Da |
| Monoisotopic Mass | 478.022 Da |
| Topological Polar Surface Area | 160.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 731.000 |
| 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 |