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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 | CC12CNCCN1C(=O)OC2 |
|---|---|
| IUPAC Name | 8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one |
| InChIKey | DCWDUMDMCQTTCY-UHFFFAOYSA-N |
| INCHI | 1S/C7H12N2O2/c1-7-4-8-2-3-9(7)6(10)11-5-7/h8H,2-5H2,1H3 |
| Molecular Weight | 156.18 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Oxazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxazolidinones |
| Alternative Parents | Piperazines Carbamate esters Oxacyclic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | 1,4-diazinane - Oxazolidinone - Piperazine - Carbamic acid ester - Secondary aliphatic amine - Secondary amine - Azacycle - Oxacycle - Amine - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as oxazolidinones. These are compounds containing an oxazolidinone moiety, which is an oxazolidine bearing a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 156.180 g/mol |
|---|---|
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 156.09 Da |
| Monoisotopic Mass | 156.09 Da |
| Topological Polar Surface Area | 41.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 195.000 |
| 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 | 1 |