| Sonrisas canónicas | C1=CC(=C(C=C1Cl)Cl)OC(=O)CC(=O)O |
|---|---|
| IUPAC Name | 3-(2,4-dichlorophenoxy)-3-oxopropanoic acid |
| InChIKey | BZEPYLGATHPLOW-UHFFFAOYSA-N |
| INCHI | 1S/C9H6Cl2O4/c10-5-1-2-7(6(11)3-5)15-9(14)4-8(12)13/h1-3H,4H2,(H,12,13) |
| Peso molecular | 249.040 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenol esters |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol esters |
| Alternative Parents | Phenoxy compounds Dichlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides 1,3-dicarbonyl compounds Carboxylic acid esters Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenol ester - 1,3-dichlorobenzene - Phenoxy compound - Halobenzene - Chlorobenzene - Aryl halide - 1,3-dicarbonyl compound - Aryl chloride - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organohalogen compound - Organochloride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. |
| External Descriptors | Not available |
| Peso molecular | 249.040 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 247.964 Da |
| Monoisotopic Mass | 247.964 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 256.000 |
| 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 |
