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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 | C1CC(C(C=C1)N)C(=O)O.Cl |
|---|---|
| IUPAC Name | (1S,2R)-2-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride |
| InChIKey | UQGIRSZIKGUXTO-RIHPBJNCSA-N |
| INCHI | 1S/C7H11NO2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h2,4-6H,1,3,8H2,(H,9,10);1H/t5-,6+;/m0./s1 |
| Isomeric SMILES | C1C[C@@H]([C@@H](C=C1)N)C(=O)O.Cl |
| PubChem CID | 17039463 |
| Molecular Weight | 177.63 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 177.630 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 177.056 Da |
| Monoisotopic Mass | 177.056 Da |
| Topological Polar Surface Area | 63.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 165.000 |
| 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 | 2 |