Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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 | 504754659 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754659 |
| Canonical Smiles | C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C#N)CCCN3C1 |
| IUPAC Name | 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile |
| InChIKey | LGDDFMCJIHJNMK-UHFFFAOYSA-N |
| INCHI | 1S/C16H14N2O2/c17-9-12-8-11-7-10-3-1-5-18-6-2-4-13(14(10)18)15(11)20-16(12)19/h7-8H,1-6H2 |
| Isomeric SMILES | C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C#N)CCCN3C1 |
| Molecular Weight | 266.3 |
| Reaxy-Rn | 7038595 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7038595&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.
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jul 24, 2023 | C153975 | |
| Certificate of Analysis | Jul 24, 2023 | C153975 | |
| Certificate of Analysis | Jul 24, 2023 | C153975 | |
| Certificate of Analysis | Jul 24, 2023 | C153975 | |
| Certificate of Analysis | Jul 24, 2023 | C153975 | |
| Certificate of Analysis | Jul 24, 2023 | C153975 |
| Molecular Weight | 266.290 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 266.106 Da |
| Monoisotopic Mass | 266.106 Da |
| Topological Polar Surface Area | 53.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 518.000 |
| 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 |