| Sonrisas canónicas | COC1=CC(=C(C=C1C(=O)O)Cl)OC |
|---|---|
| IUPAC Name | 5-chloro-2,4-dimethoxybenzoic acid |
| InChIKey | YVMAOAQQUJFELI-UHFFFAOYSA-N |
| INCHI | 1S/C9H9ClO4/c1-13-7-4-8(14-2)6(10)3-5(7)9(11)12/h3-4H,1-2H3,(H,11,12) |
| Peso molecular | 216.62 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Methoxybenzoic acids and derivatives |
| Direct Parent | P-methoxybenzoic acids and derivatives |
| Alternative Parents | O-methoxybenzoic acids and derivatives 3-halobenzoic acids Dimethoxybenzenes Halobenzoic acids Benzoic acids Anisoles Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Dimethoxybenzene - M-dimethoxybenzene - Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - Methoxybenzene - Anisole - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organohalogen compound - Organochloride - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group. |
| External Descriptors | Not available |
| Peso molecular | 216.620 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 216.019 Da |
| Monoisotopic Mass | 216.019 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 209.000 |
| 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 |
