3-Benzyl-7-hydroxy-4-methyl-2H-chromen-2-one - ≥97% , CAS No.86-44-2

CAS: 86-44-2 Cat. No.: B709668 Peso molecular: 266.3 Número EC: 166-205-3 PubChem CID: 5338538
Disponible para pedir
GRADE & PURITY ≥97%
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
B709668-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
30,90US$
5g
B709668-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
139,90US$
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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

Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥97%
Nombres e identificadores
Sonrisas canónicasCC1=C(C(=O)OC2=C1C=CC(=C2)O)CC3=CC=CC=C3
IUPAC Name3-benzyl-7-hydroxy-4-methylchromen-2-one
InChIKeyIDFOCEQDKOOOER-UHFFFAOYSA-N
INCHI1S/C17H14O3/c1-11-14-8-7-13(18)10-16(14)20-17(19)15(11)9-12-5-3-2-4-6-12/h2-8,10,18H,9H2,1H3
Isómeros SMILES CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC3=CC=CC=C3
PubChem CID 5338538
Peso molecular 266.3

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

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClaseCoumarins and derivatives
SubclassHydroxycoumarins
Intermediate Tree Nodes Not available
Direct Parent7-hydroxycoumarins
Alternative Parents 1-benzopyrans  Pyranones and derivatives  1-hydroxy-2-unsubstituted benzenoids  Benzene and substituted derivatives  Heteroaromatic compounds  Lactones  Oxacyclic compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
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:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeFechaArticulo
L2522336Certificate of AnalysisOct 31, 2025 B709668
L2522337Certificate of AnalysisOct 31, 2025 B709668
Propiedades químicas y físicas
Peso molecular266.290 g/mol
XLogP33.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass266.094 Da
Monoisotopic Mass266.094 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count20
Formal Charge0
Complexity406.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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