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.
| Sonrisas canónicas | CC1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C4(C(=O)C5=CC=CC=C5C4=O)OC3C6=CC=CC=C6Cl |
|---|---|
| IUPAC Name | 1-(2-chlorophenyl)-5-[(4-methylphenyl)methyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone |
| InChIKey | BWZMTHWUDFZJQE-UHFFFAOYSA-N |
| INCHI | 1S/C28H20ClNO5/c1-15-10-12-16(13-11-15)14-30-26(33)21-22(27(30)34)28(35-23(21)19-8-4-5-9-20(19)29)24(31)17-6-2-3-7-18(17)25(28)32/h2-13,21-23H,14H2,1H3 |
| Peso molecular | 485.9 |
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 |
| Clase | Indanes |
| Subclass | Indanones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indanediones |
| Alternative Parents | Aryl alkyl ketones Furopyrroles Toluenes Chlorobenzenes Pyrrolidine-2-ones Aryl chlorides N-substituted carboxylic acid imides N-alkylpyrrolidines Tetrahydrofurans Dicarboximides Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indanedione - Furopyrrole - Aryl alkyl ketone - Aryl ketone - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - N-alkylpyrrolidine - Pyrrolidone - 2-pyrrolidone - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Tetrahydrofuran - Lactam - Ketone - Carboxylic acid derivative - Dialkyl ether - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups. |
| External Descriptors | Not available |
| Peso molecular | 485.900 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 485.103 Da |
| Monoisotopic Mass | 485.103 Da |
| Topological Polar Surface Area | 80.800 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 902.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3-(2-chlorophenyl)-5-(4-methylbenzyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone , CAS No.312713-15-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)