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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Scopoletin acetate , CAS No.56795-51-8
Synonyms
(6-methoxy-2-oxochromen-7-yl) acetate | FS-10025 | Scopoletinacetate | 7-Acetoxy-6-methoxycoumarin | Scopoletin, O-acetyl- | CHEBI:174194 | 7-(Acetyloxy)-6-methoxy-2H-1-benzopyran-2-one | HY-N1254 | DTXSID001254533 | HYCLWDHZALFLJV-UHFFFAOYSA-N | AKOS0221
Shipped In
Ice chest + Ice pads
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Descripción general Information
Scopoletin acetate is a coumarin isolated from the herbs of Atropa belladonna L.
Specifications Sinónimos
(6-methoxy-2-oxochromen-7-yl) acetate | FS-10025 | Scopoletinacetate | 7-Acetoxy-6-methoxycoumarin | Scopoletin, O-acetyl- | CHEBI:174194 | 7-(Acetyloxy)-6-methoxy-2H-1-benzopyran-2-one | HY-N1254 | DTXSID001254533 | HYCLWDHZALFLJV-UHFFFAOYSA-N | AKOS0221
Mecanismos bioquímicos y fisiológicos
Scopoletin acetate is a coumarin isolated from the herbs of Atropa belladonna L.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas
CC(=O)OC1=C(C=C2C=CC(=O)OC2=C1)OC
IUPAC Name
(6-methoxy-2-oxochromen-7-yl) acetate
InChIKey
HYCLWDHZALFLJV-UHFFFAOYSA-N
INCHI
1S/C12H10O5/c1-7(13)16-11-6-9-8(5-10(11)15-2)3-4-12(14)17-9/h3-6H,1-2H3
Isómeros SMILES
CC(=O)OC1=C(C=C2C=CC(=O)OC2=C1)OC
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 → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Clase Coumarins and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Coumarins and derivatives Alternative Parents 1-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Coumarin - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - 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 coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 234.200 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 234.053 Da Monoisotopic Mass 234.053 Da Topological Polar Surface Area 61.800 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 349.000 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
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