| Sonrisas canónicas | CC(C)(C)OC(=O)N1CCOCC1C=O |
|---|---|
| IUPAC Name | tert-butyl (3R)-3-formylmorpholine-4-carboxylate |
| InChIKey | MOLHQYMJBRBXAN-QMMMGPOBSA-N |
| INCHI | 1S/C10H17NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h6,8H,4-5,7H2,1-3H3/t8-/m0/s1 |
| Isómeros SMILES | CC(C)(C)OC(=O)N1CCOC[C@@H]1C=O |
| PubChem CID | 44182321 |
| Peso molecular | 215.249 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Oxazinanes |
| Subclass | Morpholines |
| Intermediate Tree Nodes | Morpholine carboxylic acids and derivatives |
| Direct Parent | Morpholine carboxylic acids |
| Alternative Parents | Carbamate esters Tertiary amines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Morpholine-4-carboxylic acid - Carbamic acid ester - Tertiary amine - Dialkyl ether - Ether - Azacycle - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aldehyde - Organic oxide - Amine - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups. |
| External Descriptors | Not available |
| Peso molecular | 215.250 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 215.116 Da |
| Monoisotopic Mass | 215.116 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 246.000 |
| 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 |
