Ácido vulpínico - patrón analítico, ≥98%(HPLC) , CAS No.521-52-8

CAS: 521-52-8 Cat. No.: V733851 Peso molecular: 322.31 Número EC: 208-314-1 PubChem CID: 54690323
Disponible para pedir
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%(HPLC)
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
100mg
V733851-100mg
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668,90US$

780,90US$
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Why this grade

patrón analítico, ≥98%(HPLC) Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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

Especificaciones y pureza
patrón analítico, ≥98%(HPLC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Grado
Analytical standard
Pureza
≥98%(HPLC)
Propiedades del producto
pKapKₐ: 4.5 (Predicted)
Nombres e identificadores
Sonrisas canónicasCOC(=O)C(=C1C(=C(C(=O)O1)C2=CC=CC=C2)O)C3=CC=CC=C3
IUPAC Namemethyl (2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetate
InChIKeyOMZRMXULWNMRAE-BMRADRMJSA-N
INCHI1S/C19H14O5/c1-23-18(21)15(13-10-6-3-7-11-13)17-16(20)14(19(22)24-17)12-8-4-2-5-9-12/h2-11,20H,1H3/b17-15+
Isómeros SMILES COC(=O)/C(=C/1\C(=C(C(=O)O1)C2=CC=CC=C2)O)/C3=CC=CC=C3
RTECS HF3500000
PubChem CID 54690323
Peso molecular 322.31

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseDihydrofurans
SubclassFuranones
Intermediate Tree Nodes Not available
Direct ParentButenolides
Alternative Parents Dicarboxylic acids and derivatives  Benzene and substituted derivatives  Vinylogous acids  Methyl esters  Enol esters  Enoate esters  Lactones  Oxacyclic compounds  Enols  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Monocyclic benzene moiety - 2-furanone - Dicarboxylic acid or derivatives - Benzenoid - Enol ester - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Lactone - Enol - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





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Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Índice de refracciónn20D1.66 (Predicted)
Punto de ebullición (°C)521.42° C at 760 mmHg (Predicted)
Punto de fusión (°C)150-151 (lit.)
Peso molecular322.300 g/mol
XLogP33.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass322.084 Da
Monoisotopic Mass322.084 Da
Topological Polar Surface Area72.800 Ų
Heavy Atom Count24
Formal Charge0
Complexity575.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Calculadoras de soluciones
Reseñas

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