≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Reactant for: 1.Preparation of azaheterocycles via a palladium(II)-catalyzed ring-expansion reaction. 2.Preparation of phenyldihydroindene hydroxy derivatives as dopamine receptor ligands.
| Pubchem Sid | 488196933 |
|---|---|
| Canonical Smiles | COC1=C(C=C2CCC(=O)C2=C1)Cl |
| IUPAC Name | 5-chloro-6-methoxy-2,3-dihydroinden-1-one |
| InChIKey | XIUZEIYKEBEXIB-UHFFFAOYSA-N |
| INCHI | 1S/C10H9ClO2/c1-13-10-5-7-6(4-8(10)11)2-3-9(7)12/h4-5H,2-3H2,1H3 |
| Isomeric SMILES | COC1=C(C=C2CCC(=O)C2=C1)Cl |
| WGK Germany | 3 |
| Molecular Weight | 196.63 |
| Reaxy-Rn | 6194855 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6194855&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Indanes |
| Subclass | Indanones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indanones |
| Alternative Parents | Aryl alkyl ketones Anisoles Alkyl aryl ethers Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Indanone - Anisole - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Ketone - Ether - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - 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 |
| Molecular Weight | 196.630 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 196.029 Da |
| Monoisotopic Mass | 196.029 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 217.000 |
| 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 |
B2307934