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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 | COC1=C(C=CC(=C1)C=CC(=O)OC)OCC(=O)OC |
|---|---|
| IUPAC Name | methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate |
| InChIKey | MOFNREXIRFMPCX-FNORWQNLSA-N |
| INCHI | 1S/C14H16O6/c1-17-12-8-10(5-7-13(15)18-2)4-6-11(12)20-9-14(16)19-3/h4-8H,9H2,1-3H3/b7-5+ |
| Isomeric SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)OC)OCC(=O)OC |
| PubChem CID | 16764845 |
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 →| Molecular Weight | 280.270 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 280.095 Da |
| Monoisotopic Mass | 280.095 Da |
| Topological Polar Surface Area | 71.100 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 352.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |