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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=C2C(NCCC2=C1)C(CO)C3=CC=CC=C3)OC |
|---|---|
| IUPAC Name | (2R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-phenylethanol |
| InChIKey | LWYTYZPLXISSCU-APWZRJJASA-N |
| INCHI | 1S/C19H23NO3/c1-22-17-10-14-8-9-20-19(15(14)11-18(17)23-2)16(12-21)13-6-4-3-5-7-13/h3-7,10-11,16,19-21H,8-9,12H2,1-2H3/t16-,19+/m1/s1 |
| Isomeric SMILES | COC1=C(C=C2[C@H](NCCC2=C1)[C@H](CO)C3=CC=CC=C3)OC |
| PubChem CID | 12078524 |
| Molecular Weight | 313.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 313.400 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 313.168 Da |
| Monoisotopic Mass | 313.168 Da |
| Topological Polar Surface Area | 50.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 359.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |