| Sonrisas canónicas | CCOC(=O)C1=C(OC2=CC=CC=C2C1=O)C |
|---|---|
| IUPAC Name | ethyl 2-methyl-4-oxochromene-3-carboxylate |
| InChIKey | KBTZREOELHQMNO-UHFFFAOYSA-N |
| INCHI | 1S/C13H12O4/c1-3-16-13(15)11-8(2)17-10-7-5-4-6-9(10)12(11)14/h4-7H,3H2,1-2H3 |
| Peso molecular | 232.230 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chromones |
| Alternative Parents | Pyranones and derivatives Benzenoids Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromone - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety. |
| External Descriptors | Not available |
| Peso molecular | 232.230 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 232.074 Da |
| Monoisotopic Mass | 232.074 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 370.000 |
| 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 |
