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2，2-Dimethyl-1H-indene-1，3(2H)-dione - ≥95%, high purity , CAS No.17190-77-1

COA

Grade & Purity:

≥95%

Cas Number: 17190-77-1
Molecular Weight: 174.2
PubChem CID: 599983

In stock

Item Number

D691160

Grouped product items
SKU	Size	Availability	Price	Qty
D691160-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$237.90
D691160-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$694.90

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	Indanediones
Alternative Parents	Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Indanedione - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups.
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

Names and Identifiers

IUPAC Name	2,2-dimethylindene-1,3-dione
INCHI	InChI=1S/C11H10O2/c1-11(2)9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,1-2H3
InChIKey	BNPBWSGZTORGIH-UHFFFAOYSA-N
Smiles	CC1(C(=O)C2=CC=CC=C2C1=O)C
Isomeric SMILES	CC1(C(=O)C2=CC=CC=C2C1=O)C
PubChem CID	599983
Molecular Weight	174.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	174.200 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	174.068 Da
Monoisotopic Mass	174.068 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	239.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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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