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Basic Description
| Synonyms | 1878-58-6 | (Indan-5-yloxy)-acetic acid | (2,3-dihydro-1H-inden-5-yloxy)acetic acid | 2-((2,3-Dihydro-1H-inden-5-yl)oxy)acetic acid | 2-(2,3-dihydro-1H-inden-5-yloxy)acetic acid | Acetic acid, 2-[(2,3-dihydro-1H-inden-5-yl)oxy]- | MFCD01672404 | 5-Indanoxyacetic acid | ( |
|---|---|
| Specifications & Purity | ≥96% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenoxyacetic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenoxyacetic acid derivatives |
| Alternative Parents | Indanes Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Phenoxyacetate - Indane - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative. |
| External Descriptors | Not available |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 2-(2,3-dihydro-1H-inden-5-yloxy)acetic acid |
|---|---|
| INCHI | InChI=1S/C11H12O3/c12-11(13)7-14-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H,12,13) |
| InChIKey | VJJPTBBOPNGSRR-UHFFFAOYSA-N |
| Smiles | C1CC2=C(C1)C=C(C=C2)OCC(=O)O |
| Isomeric SMILES | C1CC2=C(C1)C=C(C=C2)OCC(=O)O |
| Molecular Weight | 192.2 |
| Reaxy-Rn | 2560373 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2560373&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 192.210 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 192.079 Da |
| Monoisotopic Mass | 192.079 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 215.000 |
| 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 |
Solution Calculators
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