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3-ethylcyclopent-2-en-1-one - ≥95%, high purity , CAS No.5682-69-9

COA

Grade & Purity:

≥95%

Cas Number: 5682-69-9
Molecular Weight: 110.1537
MDL number: MFCD21129688
PubChem CID: 557256

In stock

Item Number

E769262

Grouped product items
SKU	Size	Availability	Price	Qty
E769262-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,080.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Cyclic ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Cyclic ketones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
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/C7H10O/c1-2-6-3-4-7(8)5-6/h5H,2-4H2,1H3
InChIKey	XHAHAEVXYYITIQ-UHFFFAOYSA-N
Smiles	CCC1=CC(=O)CC1
Isomeric SMILES	CCC1=CC(=O)CC1
Molecular Weight	110.1537

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)	35°C at 0.05 mmHg
Molecular Weight	110.150 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	110.073 Da
Monoisotopic Mass	110.073 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	133.000
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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