3'-Methoxy-3-phenylpropiophenone , CAS No.76106-76-8

CAS: 76106-76-8 Cat. No.: M1027473 Fórmula: C16H16O2 Peso molecular: 240.302 PubChem CID: 11207195
Disponível para encomenda
Storage
Room temperature
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Size
Alemanha (EU)
USA*
Price
Qty
1g
M1027473-1g
Sob encomenda · 8–12 semanas
840,75€
2g
M1027473-2g
Sob encomenda · 8–12 semanas
1525,40€
5g
M1027473-5g
Sob encomenda · 8–12 semanas
2994,48€
Enter a quantity for the sizes you want to add.
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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.

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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

Condições de armazenamento de armazenamento
Room temperature
Nomes e identificadores
Sorrisos canónicosCOC1=CC=CC(=C1)C(=O)CCC2=CC=CC=C2
IUPAC Name1-(3-methoxyphenyl)-3-phenylpropan-1-one
InChIKeyUGWKQZILABRHBC-UHFFFAOYSA-N
INCHI1S/C16H16O2/c1-18-15-9-5-8-14(12-15)16(17)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3
SMILES isoméricas COC1=CC=CC(=C1)C(=O)CCC2=CC=CC=C2
PubChem CID 11207195
Peso molecular 240.302

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
ClasseLinear 1,3-diarylpropanoids
SubclassChalcones and dihydrochalcones
Intermediate Tree Nodes Not available
Direct ParentRetro-dihydrochalcones
Alternative Parents Alkyl-phenylketones  Butyrophenones  Phenoxy compounds  Methoxybenzenes  Benzoyl derivatives  Aryl alkyl ketones  Anisoles  Alkyl aryl ethers  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketone - Ether - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Peso molecular240.300 g/mol
XLogP33.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass240.115 Da
Monoisotopic Mass240.115 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count18
Formal Charge0
Complexity256.000
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 soluções
Revisões

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