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Basic Description
| Synonyms | 5-ETHYL-2,3-DIHYDRO-1H-INDEN-1-ONE | 4600-82-2 | 5-ethyl-2,3-dihydroinden-1-one | 5-ethyl-1-indanone | SCHEMBL91586 | DTXSID00453355 | XORGYZYRXXTLOB-UHFFFAOYSA-N | AM9326 | MFCD09261011 | AKOS006331994 | BS-28582 | CS-0211710 | FT-0715923 | 5-Ethyl-2,3-dihydro-1H-inden-1-one, Ald |
|---|---|
| Specifications & Purity | ≥98% |
| 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 | Indanes |
| Subclass | Indanones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indanones |
| Alternative Parents | Aryl alkyl ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Indanone - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group. |
| External Descriptors | Not available |
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Names and Identifiers
| IUPAC Name | 5-ethyl-2,3-dihydroinden-1-one |
|---|---|
| INCHI | InChI=1S/C11H12O/c1-2-8-3-5-10-9(7-8)4-6-11(10)12/h3,5,7H,2,4,6H2,1H3 |
| InChIKey | XORGYZYRXXTLOB-UHFFFAOYSA-N |
| Smiles | CCC1=CC2=C(C=C1)C(=O)CC2 |
| Isomeric SMILES | CCC1=CC2=C(C=C1)C(=O)CC2 |
| Molecular Weight | 160.2 |
| Reaxy-Rn | 1562730 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1562730&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 | 160.210 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 160.089 Da |
| Monoisotopic Mass | 160.089 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 185.000 |
| 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
Reviews
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