Determine the necessary mass, volume, or concentration for preparing a solution.
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analytical standard Étalon d'analyse for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice 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 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 528770834 |
|---|---|
| Sourires canoniques | C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-] |
| IUPAC Name | 5-(morpholin-4-ylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one |
| InChIKey | YVQVOQKFMFRVGR-VGOFMYFVSA-N |
| INCHI | 1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2/b14-7+ |
| Isomères SMILES | C1COCCN1CC2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-] |
| WGK Allemagne | 3 |
| RTECS | RQ3620000 |
| Poids moléculaire | 324.29 |
| Beilstein | 8130725 |
| Reaxy-Rn | 363627 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=363627&ln= |
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 | Organoheterocyclic compounds |
| Classe | Furans |
| Subclass | Nitrofurans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrofurans |
| Alternative Parents | Nitroaromatic compounds Oxazolidinones Morpholines Heteroaromatic compounds Trialkylamines Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - 2-nitrofuran - Morpholine - Oxazinane - Oxazolidinone - Oxazolidine - Heteroaromatic compound - C-nitro compound - Carbonic acid derivative - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Oxacycle - Azacycle - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Dialkyl ether - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrofurans. These are compounds containing a furan ring which bears a nitro group. |
| External Descriptors | Not available |
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| Poids moléculaire | 324.290 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 324.107 Da |
| Monoisotopic Mass | 324.107 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 476.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
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