≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
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 | C1=CC=C(C=C1)COC(=O)C(CC#N)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
|---|---|
| IUPAC Name | benzyl (2S)-3-cyano-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate |
| InChIKey | UPUHOZJQHUIMOV-DEOSSOPVSA-N |
| INCHI | 1S/C26H22N2O4/c27-15-14-24(25(29)31-16-18-8-2-1-3-9-18)28-26(30)32-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14,16-17H2,(H,28,30)/t24-/m0/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)COC(=O)[C@H](CC#N)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
| PubChem CID | 71744332 |
| Molecular Weight | 426.5 |
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 →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Fluorenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorenes |
| Alternative Parents | Alpha amino acid esters Benzyloxycarbonyls Fatty acid esters Carbamate esters Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Alpha-amino acid ester - Fluorene - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organic oxygen compound - Cyanide - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. |
| External Descriptors | Not available |
| Molecular Weight | 426.500 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 426.158 Da |
| Monoisotopic Mass | 426.158 Da |
| Topological Polar Surface Area | 88.400 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 673.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
