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2，3-Dihydrospiro[cyclohexane-1，1-inden]-4-one - ≥95%, high purity , CAS No.185526-59-4

COA

Grade & Purity:

≥95%

Cas Number: 185526-59-4
Molecular Weight: 200.28
MDL number: MFCD17018642
PubChem CID: 22357444

In stock

Item Number

D770988

Grouped product items
SKU	Size	Availability	Price	Qty
D770988-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$238.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Indanes
    - Subclass Indan-1-spirocyclohexanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Indanes
Subclass	Indan-1-spirocyclohexanes
Intermediate Tree Nodes	Not available
Direct Parent	Indan-1-spirocyclohexanes
Alternative Parents	Cyclic ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Indan-1-spirocyclohexane - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as indan-1-spirocyclohexanes. These are organic aromatic compounds containing a cyclohexane moiety linked to the 1-position of an indane moiety in a spiro configuration.
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

INCHI	InChI=1S/C14H16O/c15-12-6-9-14(10-7-12)8-5-11-3-1-2-4-13(11)14/h1-4H,5-10H2
InChIKey	YKVYDPXSEBDAGJ-UHFFFAOYSA-N
Smiles	C1CC2(CCC1=O)CCC3=CC=CC=C23
Isomeric SMILES	C1CC2(CCC1=O)CCC3=CC=CC=C23
Molecular Weight	200.28

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	337.4±31.0°C(Predicted)
Molecular Weight	200.280 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	200.12 Da
Monoisotopic Mass	200.12 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	259.000
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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