| Sonrisas canónicas | B(C1=CC=CC=C1OCC=C)(O)O |
|---|---|
| IUPAC Name | (2-prop-2-enoxyphenyl)boronic acid |
| InChIKey | IUALPRJAXOAGOF-UHFFFAOYSA-N |
| INCHI | 1S/C9H11BO3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h2-6,11-12H,1,7H2 |
| Isómeros SMILES | B(C1=CC=CC=C1OCC=C)(O)O |
| PubChem CID | 12035765 |
| Peso molecular | 177.99 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Alkyl aryl ethers Boronic acids Organic metalloid salts Organometalloid compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 177.990 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 178.08 Da |
| Monoisotopic Mass | 178.08 Da |
| Topological Polar Surface Area | 49.700 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 161.000 |
| 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 |
![[2-(Prop-2-en-1-yloxy)phenyl]boronic acid - ≥98% , CAS No.151414-76-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)