≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | COC1=C(C=C2C(=C1)CC(=CC3=CCN(CC3)CC4=CC=CC=C4)C2=O)OC |
|---|---|
| IUPAC Name | (2E)-2-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-one |
| InChIKey | COHPXOXOTGQWNU-UDWIEESQSA-N |
| INCHI | 1S/C24H25NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-8,12,14-15H,9-11,13,16H2,1-2H3/b20-12+ |
| Isomeric SMILES | COC1=C(C=C2C(=C1)C/C(=C\C3=CCN(CC3)CC4=CC=CC=C4)/C2=O)OC |
| Alternate CAS | 923571-20-4 |
| PubChem CID | 46834623 |
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 | Phenylmethylamines Benzylamines Aryl ketones Anisoles Aralkylamines Alkyl aryl ethers Hydropyridines Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indanone - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Aryl ketone - Alkyl aryl ether - Aralkylamine - Hydropyridine - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic 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 | 375.500 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 375.183 Da |
| Monoisotopic Mass | 375.183 Da |
| Topological Polar Surface Area | 38.800 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 619.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
