| Sonrisas canónicas | C1=CC=C(C=C1)COC2=CC(=C(C=C2)O)C(=O)O |
|---|---|
| IUPAC Name | 2-hydroxy-5-phenylmethoxybenzoic acid |
| InChIKey | PNERJPORNFOLIT-UHFFFAOYSA-N |
| INCHI | 1S/C14H12O4/c15-13-7-6-11(8-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,16,17) |
| Isómeros SMILES | C1=CC=C(C=C1)COC2=CC(=C(C=C2)O)C(=O)O |
| Peso molecular | 244.24 |
| Reaxy-Rn | 2653055 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2653055&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Hydroxybenzoic acid derivatives - Salicylic acid and derivatives |
| Direct Parent | Salicylic acids |
| Alternative Parents | Benzoic acids 4-alkoxyphenols Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Salicylic acid - 4-alkoxyphenol - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Peso molecular | 244.240 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 244.074 Da |
| Monoisotopic Mass | 244.074 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 273.000 |
| 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 |
