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

COA

Cas Number: 59743-69-0
Molecular Weight: 206.24
PubChem CID: 609857

In stock

Item Number

D668333

Grouped product items
SKU	Size	Availability	Price	Qty
D668333-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
D668333-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Indanes
    - Subclass Indanones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Indanes
Subclass	Indanones
Intermediate Tree Nodes	Not available
Direct Parent	Indanones
Alternative Parents	Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic 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
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (2 Activities)

Discover Target: ACHE

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	4,7-dimethoxy-2-methyl-2,3-dihydroinden-1-one
INCHI	InChI=1S/C12H14O3/c1-7-6-8-9(14-2)4-5-10(15-3)11(8)12(7)13/h4-5,7H,6H2,1-3H3
InChIKey	PJJMKVJLFRGNKC-UHFFFAOYSA-N
Smiles	CC1CC2=C(C=CC(=C2C1=O)OC)OC
Isomeric SMILES	CC1CC2=C(C=CC(=C2C1=O)OC)OC
PubChem CID	609857
Molecular Weight	206.24

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	206.240 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	206.094 Da
Monoisotopic Mass	206.094 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	251.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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