4,7-Dimethoxy-2-methyl-2,3-dihydro-1H-inden-1-one , CAS No.59743-69-0

CAS: 59743-69-0 Cat. No.: D668333 Peso molecular: 206.24 PubChem CID: 609857
Disponible para pedir
Synonyms
4,7-Dimethoxy-2-methyl-2,3-dihydro-1H-inden-1-one | 4,7-Dimethoxy-2-methyl-indan-1-one | 4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one | 4,7-Dimethoxy-2-methylindan-1-one | DTXSID70346129 | PJJMKVJLFRGNKC-UHFFFAOYSA-N | BDBM50008551 | MFCD09030787 | AKOS0
Storage
Room temperature
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Size
Estado
Price
Qty
1mg
D668333-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
D668333-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

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

Sinónimos
4, 7-Dimethoxy-2-methyl-2, 3-dihydro-1H-inden-1-one | 4, 7-Dimethoxy-2-methyl-indan-1-one | 4, 7-dimethoxy-2-methyl-2, 3-dihydroinden-1-one | 4, 7-Dimethoxy-2-methylindan-1-one | DTXSID70346129 | PJJMKVJLFRGNKC-UHFFFAOYSA-N | BDBM50008551 | MFCD09030787 | AKOS0
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP2.2
Nombres e identificadores
Sonrisas canónicasCC1CC2=C(C=CC(=C2C1=O)OC)OC
IUPAC Name4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one
InChIKeyPJJMKVJLFRGNKC-UHFFFAOYSA-N
INCHI1S/C12H14O3/c1-7-6-8-9(14-2)4-5-10(15-3)11(8)12(7)13/h4-5,7H,6H2,1-3H3
Isómeros SMILES CC1CC2=C(C=CC(=C2C1=O)OC)OC
PubChem CID 609857
Peso molecular 206.24

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.

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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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseIndanes
SubclassIndanones
Intermediate Tree Nodes Not available
Direct ParentIndanones
Alternative Parents Aryl alkyl ketones  Anisoles  Alkyl aryl ethers  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Indanone - Aryl alkyl ketone - Aryl ketone - Anisole - Alkyl aryl ether - Ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ACHE Tclin Acetylcholinesterase (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
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
Peso molecular206.240 g/mol
XLogP32.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass206.094 Da
Monoisotopic Mass206.094 Da
Topological Polar Surface Area35.500 Ų
Heavy Atom Count15
Formal Charge0
Complexity251.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
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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