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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items (1S,5R)-1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one - ≥99% , CAS No.96847-53-9
Synonyms
WZGFIZUMKYUMRN-GXSJLCMTSA-N | 3-Oxabicyclo[3.1.0]hexan-2-one, 1-phenyl-, (1S,5R)- | DS-9458 | AC-5323 | SCHEMBL2116916 | (1S,5R)-rel-1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one | (1S,5R)-1-Phenyl-3-oxa-bicyclo[3.1.0]hexan-2-one | (1S,5R)-1-Phenyl-3-oxabicyclo
Storage
Room temperature,Desiccated
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Why this grade ≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated Ships Normal 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.
Specifications Sinónimos
WZGFIZUMKYUMRN-GXSJLCMTSA-N | 3-Oxabicyclo[3.1.0]hexan-2-one, 1-phenyl-, (1S, 5R)- | DS-9458 | AC-5323 | SCHEMBL2116916 | (1S, 5R)-rel-1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one | (1S, 5R)-1-Phenyl-3-oxa-bicyclo[3.1.0]hexan-2-one | (1S, 5R)-1-Phenyl-3-oxabicyclo
Especificaciones y pureza
≥99%
Condiciones de almacenamiento de almacenamiento
Room temperature, Desiccated
Nombres e identificadores Sonrisas canónicas C1C2C1(C(=O)OC2)C3=CC=CC=C3 IUPAC Name (1S,5R)-1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one InChIKey WZGFIZUMKYUMRN-GXSJLCMTSA-N INCHI 1S/C11H10O2/c12-10-11(6-9(11)7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-,11+/m0/s1 Isómeros SMILES C1[C@@H]2[C@]1(C(=O)OC2)C3=CC=CC=C3 PubChem CID 10910062 Peso molecular 174.19
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 Organoheterocyclic compounds Clase Lactones Subclass Delta valerolactones Intermediate Tree Nodes Not available Direct Parent Delta valerolactones Alternative Parents Oxanes Gamma butyrolactones Benzene and substituted derivatives Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Oxane - Oxolane - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. 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 174.200 g/mol XLogP3 1.700 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 2 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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