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Coumarin 522B
| Catalog Number | A17-0059 |
| Category | Laser Dyes |
| Molecular Formula | C17H18F3NO2 |
| Molecular Weight | 325.331 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Bright blue-green fluorophore used in laser dyes and chemical sensing. Features strong emission and high molar absorptivity.
Chemical Information
Computed Properties
| Synonyms | 6,7,8,9-tetrahydro-6,8,8,9-tetramethyl-4-(trifluoromethyl)-2H-pyrano-[3,2-g]-quinolin-2-one; 6,8,8,9-tetramethyl-4-(trifluoromethyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one |
| IUPAC Name | 6,8,8,9-tetramethyl-4-(trifluoromethyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one |
| Canonical SMILES | CC1CC(N(C2=C1C=C3C(=CC(=O)OC3=C2)C(F)(F)F)C)(C)C |
| InChI | InChI=1S/C17H18F3NO2/c1-9-8-16(2,3)21(4)13-7-14-11(5-10(9)13)12(17(18,19)20)6-15(22)23-14/h5-7,9H,8H2,1-4H3 |
| InChIKey | UOVDZZRWHNUEGA-UHFFFAOYSA-N |
| Appearance | Yellow Solid |
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 325.12896330 g/mol |
| Monoisotopic Mass | 325.12896330 g/mol |
| Topological Polar Surface Area | 29.5Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 540 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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