| Sonrisas canónicas | C1=CC=C(C(=C1)N)OCC2=CC=C(O2)C(=O)O |
|---|---|
| IUPAC Name | 5-[(2-aminophenoxy)methyl]furan-2-carboxylic acid |
| InChIKey | QMQQYVJXLOSFLY-UHFFFAOYSA-N |
| INCHI | 1S/C12H11NO4/c13-9-3-1-2-4-10(9)16-7-8-5-6-11(17-8)12(14)15/h1-6H,7,13H2,(H,14,15) |
| Peso molecular | 233.22 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenol ethers |
| Subclass | Aminophenyl ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminophenyl ethers |
| Alternative Parents | Phenoxy compounds Furoic acids Aniline and substituted anilines Alkyl aryl ethers Heteroaromatic compounds Amino acids Oxacyclic compounds Carboxylic acids Primary amines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminophenyl ether - Furoic acid or derivatives - Phenoxy compound - Furoic acid - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Furan - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 233.220 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 233.069 Da |
| Monoisotopic Mass | 233.069 Da |
| Topological Polar Surface Area | 85.700 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 271.000 |
| 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 |
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