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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 | C1COC2(O1)C=CC3=CC=CC=C23 |
|---|---|
| IUPAC Name | spiro[1,3-dioxolane-2,1'-indene] |
| InChIKey | PGDSXGALIMPOPC-UHFFFAOYSA-N |
| INCHI | 1S/C11H10O2/c1-2-4-10-9(3-1)5-6-11(10)12-7-8-13-11/h1-6H,7-8H2 |
| Molecular Weight | 174.2 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Indenes and isoindenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indenes and isoindenes |
| Alternative Parents | Ketals 1,3-dioxolanes Oxacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indene - Ketal - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indenes and isoindenes. These are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring). |
| External Descriptors | Not available |
| Molecular Weight | 174.200 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 174.068 Da |
| Monoisotopic Mass | 174.068 Da |
| Topological Polar Surface Area | 18.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 228.000 |
| 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 |