| Sonrisas canónicas | CC1=CC(=CC(=C1)OC(=O)N2CCOCC2)C |
|---|---|
| IUPAC Name | (3,5-dimethylphenyl) morpholine-4-carboxylate |
| InChIKey | UAXFXCOYLNFUKB-UHFFFAOYSA-N |
| INCHI | 1S/C13H17NO3/c1-10-7-11(2)9-12(8-10)17-13(15)14-3-5-16-6-4-14/h7-9H,3-6H2,1-2H3 |
| Peso molecular | 235.280 |
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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 | m-Xylenes Phenoxy compounds Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Morpholine-4-carboxylic acid - Xylene - M-xylene - Phenoxy compound - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Dialkyl ether - Ether - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Aromatic 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 | 235.280 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 235.121 Da |
| Monoisotopic Mass | 235.121 Da |
| Topological Polar Surface Area | 38.800 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 253.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
