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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.
| Canonical Smiles | CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C=NCC4=CC=CC=N4)C |
|---|---|
| IUPAC Name | ethyl 5-hydroxy-2-methyl-4-(pyridin-2-ylmethyliminomethyl)benzo[g][1]benzofuran-3-carboxylate |
| InChIKey | PJLYIVZSINHMIU-UHFFFAOYSA-N |
| INCHI | 1S/C23H20N2O4/c1-3-28-23(27)19-14(2)29-22-17-10-5-4-9-16(17)21(26)18(20(19)22)13-24-12-15-8-6-7-11-25-15/h4-11,13,26H,3,12H2,1-2H3 |
| Molecular Weight | 388.4 |
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View spec sheet →| Molecular Weight | 388.400 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 388.142 Da |
| Monoisotopic Mass | 388.142 Da |
| Topological Polar Surface Area | 84.900 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 597.000 |
| 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 |