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(1Z)-1-(1(3H)-Isobenzofuranylidene)-2-propanone , CAS No.935521-29-2
Disponible para pedir
Storage
Room temperature
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores
| Sonrisas canónicas | CC(=O)C=C1C2=CC=CC=C2CO1 |
|---|---|
| IUPAC Name | (1Z)-1-(3H-2-benzofuran-1-ylidene)propan-2-one |
| InChIKey | RBHHGDADHCEGTP-WDZFZDKYSA-N |
| INCHI | 1S/C11H10O2/c1-8(12)6-11-10-5-3-2-4-9(10)7-13-11/h2-6H,7H2,1H3/b11-6- |
| Isómeros SMILES | CC(=O)/C=C\1/C2=CC=CC=C2CO1 |
| CAS alternativo | 935521-29-2 |
| PubChem CID | 46934609 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Clase Isocoumarans
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Isocoumarans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isocoumarans |
| Alternative Parents | Benzenoids Vinylogous esters Enones Acryloyl compounds Ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isocoumaran - Benzenoid - Vinylogous ester - Enone - Acryloyl-group - Ketone - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isocoumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Peso molecular | 174.200 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 174.068 Da |
| Monoisotopic Mass | 174.068 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 242.000 |
| 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 |
Calculadoras de soluciones
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