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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CC(OC1)CN2CC3=CC=CC=C3C2.Cl |
|---|---|
| IUPAC Name | 2-(oxolan-2-ylmethyl)-1,3-dihydroisoindole;hydrochloride |
| InChIKey | WRPPMPUMCCLKCJ-UHFFFAOYSA-N |
| INCHI | 1S/C13H17NO.ClH/c1-2-5-12-9-14(8-11(12)4-1)10-13-6-3-7-15-13;/h1-2,4-5,13H,3,6-10H2;1H |
| Isomeric SMILES | C1CC(OC1)CN2CC3=CC=CC=C3C2.Cl |
| PubChem CID | 16641263 |
| Molecular Weight | 239.75 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 239.740 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 239.108 Da |
| Monoisotopic Mass | 239.108 Da |
| Topological Polar Surface Area | 12.500 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |