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

CAS: 59743-69-0 Cat. No.: D668333 Molecular Weight: 206.24 PubChem CID: 609857
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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
Status
Price
Qty
1mg
D668333-1mg
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$571.90

$999.90
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5mg
D668333-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (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

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
Product Properties
ALogP2.2
Names and Identifiers
Canonical SmilesCC1CC2=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
Isomeric SMILES CC1CC2=C(C=CC(=C2C1=O)OC)OC
PubChem CID 609857
Molecular Weight 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.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassIndanes
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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ACHE Tclin Acetylcholinesterase (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight206.240 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
Solution Calculators
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