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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1C2(CC1(C2)C#N)CO |
|---|---|
| IUPAC Name | 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carbonitrile |
| InChIKey | ICMZHMYZIPFSKI-UHFFFAOYSA-N |
| INCHI | 1S/C7H9NO/c8-4-6-1-7(2-6,3-6)5-9/h9H,1-3,5H2 |
| Isomeric SMILES | C1C2(CC1(C2)C#N)CO |
| Molecular Weight | 123.155 |
| Reaxy-Rn | 22505695 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22505695&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 123.150 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 123.068 Da |
| Monoisotopic Mass | 123.068 Da |
| Topological Polar Surface Area | 44.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 180.000 |
| 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 |